Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5887775

Cl.OC(CCl)CN1CCCCC1

nearest known ligand 0.70

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 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
ATM Q13315 2/20 0.58
MAPT P10636 1/20 0.58
HSD17B10 Q99714 1/20 0.52
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 2/20 0.44
POLB P06746 3/20 0.43
HIF1A Q16665 1/20 0.43
RAD52 P43351 1/20 0.42
NLRP1 Q9C000 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
USP2 O75604 1/20 0.41

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 SCHEMBL6550173 0.98 KMT2A (0.65) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL9477321 0.98 MEN1 (0.73) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL3065853 0.98 MEN1 (0.73) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL488808 0.95 MEN1 (0.68) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL8391173 0.85 MEN1 (0.52) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL9819626 0.85 MEN1 (0.52) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL11118757 0.83 MEN1 (1.00) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL10895166 0.80 MEN1 (0.94) MEN1KMT2AATMMAPTHSD17B10
Hydrochloric Acid SCHEMBL9470631 0.79 MEN1 (0.41) MEN1KMT2AATMMAPTHSD17B10
Hydrochloric Acid SCHEMBL6550868 0.78 USP2 (0.72) MEN1KMT2AATMHSD17B10CYP2D6

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151175-B2 Propenecarboxylic acid amidoxime derivatives, a process for the preparation thereof, and pharmaceutical compositions containing the same N-GENE RESEARCH LABORATORIES INC. (US) 2006-12-19 US disclosed
CN-1232503-C Propenecarboxylic acid amidoxime derivatives, process for their preparation and pharmaceutical compositions containing them GENE RES LAB CO N (US) 2005-12-21 CN disclosed
US-20050165019-A1 Propenecarboxylic acid amidoxime derivatives, a process for the preparation thereof, and pharmaceutical compositions containing the same N-GENE RESEARCH LABORATORIES INC. 2005-07-28 US disclosed
US-6887872-B2 Propenecarboxylic acid amidoxime derivatives, a process for the preparation thereof, and pharmaceutical compositions containing the same N-GENE RESEARCH LABORATIORIES INC. (US) 2005-05-03 US disclosed
EP-1268407-B1 PROPENECARBOXYLIC ACID AMIDOXIME DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME N GENE RES LAB INC (US) 2004-05-06 EP disclosed
EP-1115697-B1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS GENE KUTATO KFT N (HU) 2004-02-04 EP disclosed
US-20030153559-A1 Propenecarboxylic acid amidoxime derivatives, a process for the preparation thereof , and pharmaceutical compositions containing the same N-GENE RESEARCH LABORATORIES INC. 2003-08-14 US disclosed
EP-1268407-A1 PROPENECARBOXYLIC ACID AMIDOXIME DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME N-Gene Research Laboratories Inc. (US) 2003-01-02 EP disclosed
US-6500823-B1 ENERGY DEFICIENCY OF THE CELL CAUSED BY PARP INHIBITION, IN DIABETES COMPLICATIONS, IN OXYGEN DEFICIENT STATUS OF THE HEART AND BRAIN, IN NEURODEGENERATIVE DISEASES, IN THE TREATMENT OF AUTOIMMUNE AND/OR VIRAL DISEASES N-GENE RESEARCH LABORATORIES, INC. 2002-12-31 US disclosed
WO-2001070674-A1 PROPENECARBOXYLIC ACID AMIDOXIME DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME N-GENE RESEARCH LABORATORIES INC. (US) 2001-09-27 WO disclosed
EP-1115697-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutato KFT. (HU) 2001-07-18 EP disclosed
WO-2000014054-A1 UNSATURATED HYDROXIMIC ACID DERIVATIVES AS PARP INHIBITORS N-Gene Kutató Kft. (HU) 2000-03-16 WO disclosed
US-5278309-A Absorption spectra CHINOIN GYOGYSZAR ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1994-01-11 US disclosed
US-5239077-A Antidiabetic agents CHINOIN GYOGYSZAR ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-08-24 US disclosed
US-5218117-A Antiallergens, antiinflammatory agents CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-06-08 US disclosed
US-5179089-A Antiallergens, asthma CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-01-12 US disclosed
EP-0486211-A1 Isoquinoline derivatives CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-05-20 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 (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-20030153559-A1 Propenecarboxylic acid amidoxime derivatives, a process for the preparation thereof , and pharmaceutical compositions containing the same PARP1, PARP2, PARP3 MEN1 2056/4885KMT2A 2416/4885ATM 938/4885
US-20050165019-A1 Propenecarboxylic acid amidoxime derivatives, a process for the preparation thereof, and pharmaceutical compositions containing the same PARP1, PARP2, PARP3 MEN1 2056/4885KMT2A 2416/4885ATM 938/4885

“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.