Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4337589

CCOC(=O)c1sc2cc(C(F)(F)F)ccc2c1Nc1ccncc1.Cl

nearest known ligand 0.49

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 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 known ✓ P07900 1/20 0.46
KDR known ✓ P35968 1/20 0.42
DHODH Q02127 2/20 0.49
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAP4K4 O95819 1/20 0.40
CDC7 O00311 4/20 0.40
DBF4 Q9UBU7 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4337592 0.99 DHODH (0.50) DHODHLMNATP53MAPTKDM4E
SCHEMBL4341059 0.85 KDM4E (0.50) DHODHLMNAMAPTKDM4EMEN1
SCHEMBL14174318 0.84 CHEK1 (0.43) LMNAKDM4EALDH1A1
SCHEMBL4337486 0.81 CHEK1 (0.40) DHODHLMNATP53KDM4EALDH1A1
SCHEMBL4339570 0.80 LMNA (0.52) DHODHLMNATP53MAPTKMT2A
SCHEMBL13758186 0.79 ABL1 (0.41) DHODHKDM4EMEN1KMT2AKDR
SCHEMBL14185632 0.78 ROCK2 (0.39) KDM4EALDH1A1
SCHEMBL28836579 0.77 LMNA (0.48) LMNATP53MAPTKDM4EMEN1
SCHEMBL30099150 0.77 LMNA (0.48) LMNATP53MAPTKDM4EMEN1
SCHEMBL8136940 0.77 KDM4E (0.51) LMNATP53MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501797-B1 3-(SUBSTITUTED AMINO)-1H-INDOLE-2-CARBOXYLIC ACID ESTER AND 3-(SUBSTITUTED AMINO)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ESTER DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2009-08-05 EP claimed
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 US claimed
EP-1834947-A2 3-substituted amino-1H-indole-2-carboxylic acid and 3-substituted amino-benzo[B]thiophene-2carboxylic acid derivatives as interleukin-4 gene expression inhibitors Aventis Pharmaceuticals, Inc. (US) 2007-09-19 EP claimed
EP-1501796-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals Inc. (US) 2005-02-02 EP claimed
EP-1501797-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-02-02 EP claimed
US-20040010029-A1 Indole derivatives as interleukin -4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-15 US claimed
US-20040006123-A1 Interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-08 US claimed
WO-2003091215-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO’ B! THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERIEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO claimed
WO-2003091214-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO claimed
EP-1501797-B1 3-(SUBSTITUTED AMINO)-1H-INDOLE-2-CARBOXYLIC ACID ESTER AND 3-(SUBSTITUTED AMINO)-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID ESTER DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMA INC (US) 2009-08-05 EP disclosed
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. 2008-06-05 US disclosed
EP-1834947-A2 3-substituted amino-1H-indole-2-carboxylic acid and 3-substituted amino-benzo[B]thiophene-2carboxylic acid derivatives as interleukin-4 gene expression inhibitors Aventis Pharmaceuticals, Inc. (US) 2007-09-19 EP disclosed
US-7169925-B2 Indole derivatives as interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-01-30 US disclosed
EP-1501797-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
EP-1501796-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERLEUKIN-4 GENE EXPRESSION INHIBITORS Aventis Pharmaceuticals Inc. (US) 2005-02-02 EP disclosed
US-20040010029-A1 Indole derivatives as interleukin -4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-15 US disclosed
US-20040006123-A1 Interleukin-4 gene expression inhibitors AVENTIS PHARMACEUTICALS INC. 2004-01-08 US disclosed
WO-2003091215-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO’ B! THIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS INTERIEUKIN-4 GENE EXPRESSION INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 WO disclosed
WO-2003091214-A1 3-SUBSTITUTED AMINO-1H-INDOLE-2-CARBOXYLIC ACID AND 3-SUBSTITUTED AMINO-BENZO AVENTIS PHARMACEUTICALS INC. (US) 2003-11-06 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 (3 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-20040010029-A1 Indole derivatives as interleukin -4 gene expression inhibitors IL4, IL4I1, STAT4 HSP90AA1 3657/4885KDR 1414/4885DHODH 1315/4885
US-20040006123-A1 Interleukin-4 gene expression inhibitors IL4, STAT4, BCL6 HSP90AA1 3676/4885KDR 2052/4885DHODH 2284/4885
US-20080132481-A1 INTERLEUKIN-4 GENE EXPRESSION INHIBITORS IL4, STAT4, STAT6 HSP90AA1 3789/4885KDR 1901/4885DHODH 2155/4885

“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.