Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3208085

COc1ccc(C2(c3ccc(OC(=O)[C@H](C)N)cc3)C(=O)Nc3c2ccc(F)c3F)cc1.Cl

nearest known ligand 0.38

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 14)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.31
GAA known ✓ P10253 1/20 0.31
SLC6A4 known ✓ P31645 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
MAPT P10636 1/20 0.38
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
CNR1 P21554 1/20 0.33
HTT P42858 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
KIF11 P52732 2/20 0.31
FLI1 Q01543 1/20 0.31
EWSR1 Q01844 1/20 0.31

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 SCHEMBL3208081 1.00 MAPT (0.38) MAPTKMT2AMEN1CNR1HTT
SCHEMBL13484214 0.99 MAPT (0.38) MAPTKMT2AMEN1CNR1HTT
SCHEMBL13484215 0.95 MAPT (0.41) MAPTCNR1HTTGPR35GPR55
Hydrochloric Acid SCHEMBL3198784 0.85 MAPT (0.37) MAPTKMT2AMEN1CNR1HTT
Hydrochloric Acid SCHEMBL3198801 0.85 MAPT (0.37) MAPTKMT2AMEN1CNR1HTT
Hydrochloric Acid SCHEMBL3711824 0.85 MAPT (0.34) MAPT
Hydrochloric Acid SCHEMBL3711826 0.85 MAPT (0.34) MAPT
SCHEMBL13484219 0.84 MAPT (0.40) MAPTKIF11GAA
SCHEMBL13191296 0.84 MAPT (0.35) MAPTCNR1HTTGPR35GPR55
SCHEMBL13484210 0.83 NPSR1 (0.38) MAPTKMT2AMEN1CNR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029646-A1 PRODRUGS OF DIPHENYL OX-INDOL-2-ONE COMPOUNDS TOPO TARGET A/S (DK) 2010-02-04 US claimed
EP-2102158-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS Topo Target A/S (DK) 2009-09-23 EP claimed
WO-2008071387-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS TOPOTARGET A/S (DK) 2008-06-19 WO claimed
US-20100029646-A1 PRODRUGS OF DIPHENYL OX-INDOL-2-ONE COMPOUNDS TOPO TARGET A/S (DK) 2010-02-04 US disclosed
EP-2102158-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS Topo Target A/S (DK) 2009-09-23 EP disclosed
WO-2008071387-A1 PRODRUGS OF DIPHENYL OX- INDOL- 2 -ONE COMPOUNDS FOR THE TREATMENT OF CANCERS TOPOTARGET A/S (DK) 2008-06-19 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-20100029646-A1 PRODRUGS OF DIPHENYL OX-INDOL-2-ONE COMPOUNDS IDO1, IDO2, TDO2 ACHE 2291/4885GAA 3741/4885SLC6A4 266/4885

“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.