Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5849777

Cc1cccc(C(=O)Cc2nc3c([nH]2)CCCC3)c1.Cl

nearest known ligand 0.43

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
ITGB3 known ✓ P05106 1/20 0.36
ITGA2B known ✓ P08514 1/20 0.36
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 4/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
ELANE P08246 1/20 0.38
ALPL P05186 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTNNB1 P35222 4/20 0.38
WNT3A P56704 4/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
GRM5 P41594 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ITGAV P06756 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
Hydrochloric Acid SCHEMBL5851326 0.86 MEN1 (0.39) MAPTKMT2ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL5849812 0.85 RAB9A (0.52) MAPTTP53KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL5850151 0.85 RAB9A (0.42) MAPTTP53KMT2ANPC1RAB9A
SCHEMBL5849735 0.84 ALDH1A1 (0.42) MAPTTP53KMT2ANPC1RAB9A
SCHEMBL5849860 0.84 HTT (0.41) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL5849658 0.81 CES2 (0.43) KMT2ANPC1RAB9AALDH1A1CTNNB1
SCHEMBL5849411 0.78 ITGB3 (0.37) MAPTKMT2ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL5849993 0.78 RAB9A (0.52) MAPTTP53KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL5851963 0.77 NPC1 (0.45) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL5850164 0.76 RAB9A (0.53) MAPTKMT2ANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6984646-B2 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALHCARE AG (DE) 2006-01-10 US disclosed
EP-1412353-B1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-03-02 EP disclosed
US-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALTHCARE AG (DE) 2004-11-04 US disclosed
EP-1412353-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
WO-2003008413-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-30 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 (1 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-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors MAPK1, MAPK3, MAP3K1 ITGB3 1127/4885ITGA2B 2084/4885MAPT 1617/4885

“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.