Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5234895

COc1cc(-c2ccc(N3CCCN(c4ccc(-c5cc(OC)c(N)c(OC)c5)cn4)CC3)nc2)cc(OC)c1N.Cl.Cl.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 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
MAP4K1 Q92918 3/20 0.47
IL2 P60568 2/20 0.47
ZAP70 P43403 2/20 0.44
CNR2 P34972 3/20 0.44
TLR8 Q9NR97 5/20 0.44
TLR9 Q9NR96 4/20 0.44
TLR7 Q9NYK1 4/20 0.44
FYN P06241 2/20 0.43
PDE10A Q9Y233 2/20 0.42
GAK O14976 1/20 0.42
KDM4E B2RXH2 1/20 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
SCHEMBL14573470 0.99 ERN1 (0.50) ERN1MAP4K1IL2ZAP70CNR2
SCHEMBL5233401 0.86 ERN1 (0.51) ERN1MAP4K1IL2ZAP70CNR2
SCHEMBL5235053 0.86 ZAP70 (0.56) ERN1MAP4K1IL2ZAP70CNR2
SCHEMBL5238872 0.85 ZAP70 (0.50) ERN1MAP4K1IL2ZAP70CNR2
SCHEMBL5238770 0.85 ERN1 (0.50) ERN1MAP4K1IL2ZAP70CNR2
SCHEMBL5238246 0.85 ERN1 (0.50) ERN1MAP4K1IL2ZAP70CNR2
SCHEMBL5625948 0.85 ERN1 (0.61) ERN1MAP4K1IL2ZAP70CNR2
SCHEMBL5231722 0.85 MAP4K1 (0.57) ERN1MAP4K1IL2ZAP70CNR2
SCHEMBL5231326 0.84 ERN1 (0.49) ERN1MAP4K1IL2ZAP70CNR2
SCHEMBL14573466 0.84 ZAP70 (0.47) ERN1MAP4K1IL2ZAP70CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US claimed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 US claimed
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 US disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 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 (2 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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH ERN1 3002/4885MAP4K1 518/4885IL2 2150/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 ERN1 3408/4885MAP4K1 1039/4885IL2 2003/4885

“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.