Hydrochloric Acid

Hydrochloric Acid

SCHEMBL104308

CN(C)c1ccc(N=O)c(O)c1.Cl

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 13/20 0.51
MAOA known ✓ P21397 1/20 0.41
MAOB known ✓ P27338 1/20 0.41
GAA known ✓ P10253 1/20 0.38
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
THRB P10828 3/20 0.47
MAPK1 P28482 2/20 0.47
HIF1A Q16665 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
RGS12 O14924 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29914719 0.98 KCNH2 (0.50) KCNH2ALDH1A1HSD17B10THRBMAPK1
SCHEMBL90533 0.98 KCNH2 (0.50) KCNH2ALDH1A1HSD17B10THRBMAPK1
SCHEMBL3856198 0.96 KCNH2 (0.49) KCNH2ALDH1A1HSD17B10THRBMAPK1
SCHEMBL11759552 0.82 KCNH2 (0.66) KCNH2ALDH1A1HSD17B10THRBMAPK1
SCHEMBL11759545 0.82 KCNH2 (0.66) KCNH2ALDH1A1HSD17B10THRBMAPK1
Hydrochloric Acid SCHEMBL103959 0.80 MAPT (0.51) ALDH1A1THRBMAPK1KDM4EHPGD
SCHEMBL29740108 0.78 MAPT (0.53) ALDH1A1THRBMAPK1KDM4EHPGD
SCHEMBL374911 0.78 MAPT (0.53) ALDH1A1THRBMAPK1KDM4EHPGD
Hydrochloric Acid SCHEMBL7269865 0.77 KCNH2 (0.41) KCNH2ALDH1A1HSD17B10THRBMAPK1
SCHEMBL145777 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10THRBMAPK1HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001003661-A1 AGENT FOR DYEING KERATIN FIBRES CONTAINING AT LEAST ONE AROMATIC NITROSO COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-18 WO claimed
US-20150225332-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 US disclosed
US-20140235894-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US disclosed
US-8748659-B2 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide IDEMITSU KOSAN CO., LTD. (JP) 2014-06-10 US disclosed
EP-2664611-A1 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide Idemitsu Kosan Co., Ltd (JP) 2013-11-20 EP disclosed
EP-2664610-A1 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide Idemitsu Kosan Co., Ltd (JP) 2013-11-20 EP disclosed
US-20120088931-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
EP-2426103-A1 METHOD FOR PRODUCING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE Idemitsu Kosan Co., Ltd. (JP) 2012-03-07 EP disclosed
US-8003767-B2 Sulfonated [8,9]benzophenoxazine dyes and the use of their labelled conjugates APPLIED BIOSYSTEMS, LLC (US) 2011-08-23 US disclosed
US-20090004653-A1 Sulfonated [8,9]benzophenoxazine dyes and the use of their labelled conjugates APPLERA CORPORATION 2009-01-01 US disclosed
EP-1509508-A1 SELECTIVE CHROMOPHORES Westman, Gunnar (SE) 2005-03-02 EP disclosed
WO-2003104210-A1 SELECTIVE CHROMOPHORES CHALMERS TECHNOLOGY LICENSING AB (SE) 2003-12-18 WO disclosed
US-20030158407-A1 Sulfonated [8,9] benzophenoxazine dyes and the use of their labelled conjugates APPLERA CORPORATION 2003-08-21 US disclosed
EP-1278803-A2 SULFONATED 8,9]BENZOPHENOXAZINE DYES AND THE USE OF THEIR LABELLED CONJUGATES Applera Corporation (US) 2003-01-29 EP disclosed
US-6465644-B1 CAN BE CONJUGATED TO A VARIETY OF SUBSTRATES, SUCH AS POLYNUCLEOTIDES, NUCLEOSIDES, NUCLEOTIDES, PEPTIDES, PROTEINS, ANTIBODIES, CARBOHYDRATES, LIGANDS, PARTICLES AND SURFACES. APPLERA CORPORATION 2002-10-15 US disclosed
WO-2001083621-A2 SULFONATED [8,9]BENZOPHENOXAZINE DYES AND THE USE OF THEIR LABELLED CONJUGATES APPLERA CORPORATION (US) 2001-11-08 WO disclosed
WO-2001003661-A1 AGENT FOR DYEING KERATIN FIBRES CONTAINING AT LEAST ONE AROMATIC NITROSO COMPOUND HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-01-18 WO disclosed
US-4457872-A IMMUNOREGULATORY Yamanouchi Pharmaceutical Co. (JP) 1984-07-03 US disclosed
EP-0030436-B1 2-HYDROXYOXANILIC ACID DERIVATIVES AND SALTS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1984-05-09 EP disclosed
EP-0030436-A1 2-Hydroxyoxanilic acid derivatives and salts, their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-06-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150225332-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH KCNH2 2749/4885MAOA 1850/4885MAOB 2394/4885
US-20140235894-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH KCNH2 2749/4885MAOA 1850/4885MAOB 2394/4885
US-20120088931-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH KCNH2 2749/4885MAOA 1850/4885MAOB 2394/4885
US-20030158407-A1 Sulfonated [8,9] benzophenoxazine dyes and the use of their labelled conjugates DUT, TK1, SSB KCNH2 3601/4885MAOA 3589/4885MAOB 2551/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.