Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2679096

Cl.O=C(Cl)C=Cc1cccnc1

nearest known ligand 0.71

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
RAB9A P51151 3/20 0.71
MAPT P10636 2/20 0.71
KDM4E B2RXH2 2/20 0.71
NPC1 O15118 2/20 0.71
JUN P05412 1/20 0.71
NFKB1 P19838 1/20 0.71
MAPK1 P28482 1/20 0.71
GPR55 Q9Y2T6 1/20 0.71
PFKFB3 Q16875 1/20 0.61
KMT2A Q03164 1/20 0.58
CYP1A1 P04798 9/20 0.56
CYP1A2 P05177 9/20 0.56
CYP1B1 Q16678 9/20 0.56
CYP3A4 P08684 5/20 0.56
CYP2D6 P10635 5/20 0.56
APAF1 O14727 1/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
USP2 O75604 1/20 0.54

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
Hydrochloric Acid SCHEMBL2679094 1.00 RAB9A (0.71) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL31565691 1.00 RAB9A (0.71) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL29514819 0.98 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL485947 0.98 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL485944 0.98 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL11971085 0.85 MAPT (0.96) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL11971079 0.85 MAPT (0.96) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL27850886 0.84 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
Hydrochloric Acid SCHEMBL10810828 0.84 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL5598850 0.83 MAPT (1.00) RAB9AMAPTKDM4ENPC1JUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169209-B2 Compounds and compositions for the inhibition of NAMPT FORMA TM, LLC (US) 2015-10-27 US disclosed
US-8900796-B2 Acid generator, chemically amplified resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-02 US disclosed
US-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Valo Health, LLC 2014-09-18 US disclosed
EP-2634631-A1 Acid generator, chemically amplified resist composition, and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2013-09-04 EP disclosed
US-20130224657-A1 ACID GENERATOR, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-08-29 US disclosed
US-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 US disclosed
WO-2012150952-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2012-11-08 WO disclosed
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 US disclosed
CN-102421754-A Acrylamide derivative and use thereof in manufacture of medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO LTD 2012-04-18 CN disclosed
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-5137638-A Mixture of orticla isomers; cellulose tricinnamate DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-11 US disclosed
US-5075009-A Optical resolution of racemic mixtures using a cellulose tris-4-biphenyl carboxylate DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-24 US disclosed
US-5017290-A Chromatography DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US disclosed
US-4966694-A CELLULOSE TRI-BETA-NAPHTHOATE; OPTICAL RESOLUTIONS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-30 US disclosed
EP-0156382-B1 SEPARATION AGENT COMPRISING ACYL-OR CARBAMOYL-SUBSTITUTED POLYSACCHARIDE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-24 EP disclosed
US-4879038-A Separation agent comprising acyl- or carbamoyl-substituted polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-07 US disclosed
US-4584297-A Pyrrolo[1,2-c]-1,3-thiazines RHONE-POULENC SANTE (FR) 1986-04-22 US disclosed
US-4546100-A Pyrrolo[1,2-c]thiazoles useful as antithrombotic agents RHONE-POULENC SANTE (FR) 1985-10-08 US disclosed
EP-0156382-A2 Separation agent comprising acyl-or carbamoyl-substituted polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-02 EP disclosed
US-4539400-A Pyridin-3-yl substituted ortho-fused pyrrole derivatives RHONE-POULENC SANTE (FR) 1985-09-03 US 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 (2 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-20140275057-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NAPRT RAB9A 1511/4885MAPT 422/4885KDM4E 2168/4885
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament ABL1, ABL2, BCR RAB9A 4310/4885MAPT 1476/4885KDM4E 2355/4885

“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.