Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3716765

Cc1ccc(C(=O)NC(=O)N(S)c2ccc(C(N)=O)cc2)cc1C.Cl

nearest known ligand 0.42

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
FLT3 known ✓ P36888 1/20 0.38
HDAC3 known ✓ O15379 1/20 0.38
HDAC4 known ✓ P56524 1/20 0.38
HDAC1 known ✓ Q13547 1/20 0.38
HDAC7 known ✓ Q8WUI4 1/20 0.38
HDAC2 known ✓ Q92769 1/20 0.38
HDAC10 known ✓ Q969S8 1/20 0.38
HDAC11 known ✓ Q96DB2 1/20 0.38
HDAC8 known ✓ Q9BY41 1/20 0.38
HDAC6 known ✓ Q9UBN7 1/20 0.38
HDAC9 known ✓ Q9UKV0 1/20 0.38
HDAC5 known ✓ Q9UQL6 1/20 0.38
GLA known ✓ P06280 1/20 0.37
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
NR1H4 Q96RI1 1/20 0.37

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 SCHEMBL3718811 0.89 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL3718178 0.89 CA1 (0.40) ALDH1A1MAPTRAB9ANPC1NPSR1
Hydrochloric Acid SCHEMBL3714477 0.85 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AMEN1HDAC1
SCHEMBL3717815 0.83 PARP1 (0.53) ALDH1A1MAPTKMT2AMEN1HDAC8
Hydrochloric Acid SCHEMBL3718123 0.82 HDAC6 (0.45) ALDH1A1MAPTHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3717979 0.82 BCAT2 (0.55) MAPTKMT2AMEN1HDAC4HDAC1
Hydrochloric Acid SCHEMBL3717637 0.81 NPC1 (0.41) ALDH1A1MAPTKMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL3715109 0.80 PARP1 (0.37) ALDH1A1KMT2ARAB9ATDP1POLB
Hydrochloric Acid SCHEMBL3400227 0.80 EPHX2 (0.50) ALDH1A1MAPTKMT2AMEN1HDAC3
Hydrochloric Acid SCHEMBL3714962 0.80 ALDH1A1 (0.44) ALDH1A1MAPTKMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365508-B2 Aroyl thiourea derivatives UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2016-06-14 US disclosed
EP-2440522-B1 AROYLTHIOUREA AND ARYLTHIOCARBONYLUREA DERIVATIVES UNIV DUNDEE (GB) 2014-11-12 EP disclosed
US-20120149778-A1 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE 2012-06-14 US disclosed
WO-2010142956-A2 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-12-16 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-20120149778-A1 COMPOUNDS AR, NR5A1, NAT1 FLT3 1527/4885HDAC3 46/4885HDAC4 240/4885

“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.