Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5070549

CCOc1cccc(Cn2ncc3c(N4CCC(C(=O)N5CCC(N6CCCCC6)CC5)CC4)ncnc32)c1.Cl.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 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 known ✓ Q9Y5N1 3/20 0.46
▸ GAA known ✓ P10253 2/20 0.42
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ PKM P14618 3/20 0.49
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ THRB P10828 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
SCHEMBL5066016 0.99 KMT2A (0.49) KMT2AMEN1ALDH1A1PKMHRH3
Hydrochloric Acid SCHEMBL5065509 0.94 MEN1 (0.51) KMT2AMEN1ALDH1A1PKMHRH3
Hydrochloric Acid SCHEMBL5065504 0.94 MEN1 (0.51) KMT2AMEN1ALDH1A1PKMHRH3
SCHEMBL5068385 0.93 MEN1 (0.51) KMT2AMEN1ALDH1A1PKMHRH3
SCHEMBL5068387 0.93 MEN1 (0.51) KMT2AMEN1ALDH1A1PKMHRH3
SCHEMBL5070266 0.93 MEN1 (0.52) KMT2AMEN1ALDH1A1PKMHRH3
SCHEMBL5070263 0.93 MEN1 (0.52) KMT2AMEN1ALDH1A1PKMHRH3
SCHEMBL5067565 0.90 KMT2A (0.53) KMT2AMEN1ALDH1A1PKMHRH3
Hydrochloric Acid SCHEMBL5068030 0.88 KMT2A (0.50) KMT2AMEN1ALDH1A1PKMMAPK1
Hydrochloric Acid SCHEMBL5068031 0.88 KMT2A (0.50) KMT2AMEN1ALDH1A1PKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound TANABE SEIYAKU CO., LTD. (JP) 2008-04-03 — — US disclosed
EP-1772454-A1 NITROGENOUS FUSED BICYCLIC COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2007-04-11 — — EP 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-20080081817-A1 Nitrogenous Fused Bicyclic Compound KCNH2, KCNN2, KCNN1 HRH3 696/4885GAA 4437/4885KMT2A 1947/4885

“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.

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