Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4802067

Cc1ccc(N(CC(=O)O)C(=O)c2cccc(CN)c2)cc1.Cl.NC(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.40

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
GAA known ✓ P10253 1/20 0.35
KLKB1 known ✓ P03952 1/20 0.34
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4803627 0.99 RXRA (0.38) RXRARXRBRXRGNPC1RAB9A
Hydrochloric Acid SCHEMBL5211579 0.92 RXRA (0.39) RXRARXRBRXRGNPC1RAB9A
Hydrochloric Acid SCHEMBL5213441 0.90 MAPK14 (0.38) RXRARXRBRXRGNPC1RAB9A
Hydrochloric Acid SCHEMBL5210603 0.89 MEN1 (0.37) NPC1RAB9APOLBGFERPAX8
Hydrochloric Acid SCHEMBL5217412 0.89 MEN1 (0.37) NPC1RAB9APOLBGFERPAX8
Hydrochloric Acid SCHEMBL5211859 0.89 MAPK14 (0.43) NPC1RAB9APOLBGFERPAX8
Trifluoroacetic Acid SCHEMBL5213198 0.88 NPC1 (0.36) RXRARXRBRXRGNPC1RAB9A
Trifluoroacetic Acid SCHEMBL5212669 0.88 RXRA (0.37) RXRARXRBRXRGNPC1RAB9A
Hydrochloric Acid SCHEMBL5212797 0.88 NPC1 (0.39) RXRARXRBRXRGNPC1RAB9A
Hydrochloric Acid SCHEMBL5630994 0.88 NPC1 (0.38) RXRARXRBRXRGNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US disclosed
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 WO disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 GAA 684/4885KLKB1 357/4885RXRA 3010/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 GAA 1165/4885KLKB1 161/4885RXRA 3589/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 GAA 843/4885KLKB1 301/4885RXRA 3757/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 GAA 684/4885KLKB1 357/4885RXRA 3010/4885

“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.