Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4199637

Cl.NCC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.69

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
MAOB known ✓ P27338 2/20 0.64
EGFR known ✓ P00533 5/20 0.63
GAA known ✓ P10253 1/20 0.58
PTGS1 known ✓ P23219 1/20 0.56
SLC6A2 known ✓ P23975 1/20 0.56
PTGS2 known ✓ P35354 1/20 0.56
SLC6A3 known ✓ Q01959 1/20 0.56
HDAC6 known ✓ Q9UBN7 1/20 0.56
CYP19A1 known ✓ P11511 1/20 0.54
PARP10 Q53GL7 2/20 0.69
NR4A1 P22736 1/20 0.68
NR4A2 P43354 1/20 0.68
NR4A3 Q92570 1/20 0.68
SRD5A2 P31213 1/20 0.62
LTA4H P09960 1/20 0.61
PLA2G4B P0C869 1/20 0.59
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL2013554 0.98 PARP10 (0.71) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL883145 0.90 PARP10 (0.68) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL2008979 0.84 MAPK1 (0.56) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL4220632 0.83 NR4A1 (0.72) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL1960673 0.83 NR4A1 (0.72) PARP10NR4A1NR4A2NR4A3MAOB
Hydrochloric Acid SCHEMBL8861530 0.83 PARP10 (0.97) PARP10NR4A1NR4A2NR4A3MAOB
Hydrochloric Acid SCHEMBL8544438 0.83 NR4A2 (0.96) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL13238323 0.83 SMN1; SMN2 (0.69) PARP10MAOBPLA2G4BALDH1A1MAPT
SCHEMBL12987281 0.83 MAOB (0.71) PARP10NR4A1NR4A2NR4A3MAOB
SCHEMBL9718167 0.82 NR4A1 (0.70) PARP10NR4A1NR4A2NR4A3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115715285-A Compounds as UBR box domain ligands 奧土择破利悟 2023-02-24 CN disclosed
US-20090312392-A1 Amino ceramide-like compounds and therapeutic methods of use NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-12-17 US disclosed
US-20080146533-A1 Amino ceramide-like compounds and therapeutic methods of use NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-06-19 US disclosed
US-7253185-B2 Amino ceramide-like compounds and therapeutic methods of use THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-08-07 US disclosed
US-20050267094-A1 Amino ceramide-like compounds and therapeutic methods of use THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2005-12-01 US disclosed
US-20050239862-A1 Amino ceramide-like compounds and therapeutic methods of use THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-10-27 US disclosed
US-6916802-B2 Amino ceramide-like compounds and therapeutic methods of use GENZYME CORPORATION (US) 2005-07-12 US disclosed
US-6890949-B1 Amino ceramide-like compounds and therapeutic methods of use THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-05-10 US disclosed
US-20050049235-A1 Amino ceramide-like compounds and therapeutic methods of use THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-03-03 US disclosed
EP-0888353-B1 N-7-HETEROCYCLYL PYRROLO [2,3-d]PYRIMIDINES AND THEIR USE NOVARTIS AG (CH) 2003-07-09 EP disclosed
US-20010041735-A1 Amino ceramide - like compounds and therapeutic methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-11-15 US disclosed
US-6255336-B1 REDUCING CONCENTRATION OF GLYCOSPHINGOLIPIDS; SYNTHASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2001-07-03 US disclosed
US-6051577-A TYROSINE INHIBITORS; BONE DISORDERS NOVARTIS AG (CH) 2000-04-18 US disclosed
EP-0888353-A1 NOVEL N-7-HETEROCYCLYL PYRROLO 2,3-D]PYRIDINES AND THEIR USE Novartis AG (CH) 1999-01-07 EP disclosed
WO-1997034895-A1 NOVEL N-7-HETEROCYCLYL PYRROLO[2,3-D]PYRIDINES AND THEIR USE NOVARTIS AG (CH) 1997-09-25 WO disclosed
WO-1997032879-A1 7-ALKYL-PYRROLO[2,3-d]PYRIMIDINES NOVARTIS AG (CH) 1997-09-12 WO disclosed
WO-1997028161-A1 NOVEL PYRROLO[2,3-D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 1997-08-07 WO disclosed
EP-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 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 (6 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-20090312392-A1 Amino ceramide-like compounds and therapeutic methods of use UGCG, CERS2, SGMS1 MAOB 2384/4885EGFR 3345/4885GAA 34/4885
US-20050239862-A1 Amino ceramide-like compounds and therapeutic methods of use UGCG, CERS2, CERT1 MAOB 2211/4885EGFR 4070/4885GAA 31/4885
US-20010041735-A1 Amino ceramide - like compounds and therapeutic methods of use UGCG, CERS2, CERT1 MAOB 2375/4885EGFR 3991/4885GAA 31/4885
US-20050267094-A1 Amino ceramide-like compounds and therapeutic methods of use UGCG, CERS2, SGMS1 MAOB 2384/4885EGFR 3345/4885GAA 34/4885
US-20080146533-A1 Amino ceramide-like compounds and therapeutic methods of use UGCG, CERS2, SGMS1 MAOB 2384/4885EGFR 3345/4885GAA 34/4885
US-20050049235-A1 Amino ceramide-like compounds and therapeutic methods of use UGCG, CERS2, SGMS1 MAOB 2384/4885EGFR 3345/4885GAA 34/4885

“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.