Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4798441

Cc1ccc(CN=C(N)S)cc1.Cl

nearest known ligand 0.50

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
SCN2A known ✓ Q99250 1/20 0.43
HRH3 known ✓ Q9Y5N1 2/20 0.41
GRIN2D known ✓ O15399 1/20 0.38
GRIN3B known ✓ O60391 1/20 0.38
GRIN1 known ✓ Q05586 1/20 0.38
GRIN2A known ✓ Q12879 1/20 0.38
GRIN2B known ✓ Q13224 1/20 0.38
GRIN2C known ✓ Q14957 1/20 0.38
GRIN3A known ✓ Q8TCU5 1/20 0.38
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NOS2 P35228 2/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
IDO1 P14902 3/20 0.44
HRH4 Q9H3N8 2/20 0.41
AGXT P21549 2/20 0.41

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 SCHEMBL19520756 0.83 GRIN2D (0.55) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4097844 0.81 GRIN2D (0.52) MEN1NPC1RAB9AKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4799473 0.80 TAAR1 (0.62) NOS2NOS3NOS1IDO1HRH3
Hydrochloric Acid SCHEMBL4801821 0.79 GRIN2B (0.52) NOS2NOS3NOS1IDO1HRH4
Hydrochloric Acid SCHEMBL4003818 0.79 NOS2 (0.64) NOS2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5064966 0.78 TAAR1 (0.61) NOS2NOS3NOS1IDO1HRH3
SCHEMBL5339445 0.78 NOS2 (0.44) RAB9ASMN1; SMN2NOS2NOS3NOS1
SCHEMBL5793987 0.77 GRIN2B (0.54) NOS2NOS3NOS1IDO1HRH4
SCHEMBL1230273 0.77 NOS2 (0.67) NOS2GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL9547058 0.76 NOS2 (0.44) MEN1KMT2ASMN1; SMN2NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-7019110-B2 Streptogramin derivatives, preparation method and compositions containing same AVENTIS PHARMA S.A. (FR) 2006-03-28 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-6958383-B2 Streptogramin derivatives, preparation method and compositions containing same AVENTIS PHARMA S. A. (FR) 2005-10-25 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
US-20040266667-A1 Streptogramin derivatives, preparation method and compositions containing same AVENTIS PHARMA S.A. 2004-12-30 US disclosed
US-20020151676-A1 Streptogramin derivatives, preparation method and compositions containing same AVENTIS PHARMA S.A. (FR) 2002-10-17 US 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-20040266667-A1 Streptogramin derivatives, preparation method and compositions containing same MRPL21, RRS1, RRP1B SCN2A 3738/4885HRH3 3109/4885GRIN2D 2464/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 SCN2A 4207/4885HRH3 534/4885GRIN2D 3741/4885
US-20020151676-A1 Streptogramin derivatives, preparation method and compositions containing same MRPL21, RRS1, RRP1B SCN2A 3508/4885HRH3 3441/4885GRIN2D 2743/4885

“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.