Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5617664

CCC(=O)Nc1cnc2cc(OCc3ccccc3)ccc2c1NCC1CCOCC1.Cl.Cl

nearest known ligand 0.44

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
EGFR known ✓ P00533 2/20 0.44
ERBB4 known ✓ Q15303 2/20 0.44
ERBB2 known ✓ P04626 1/20 0.44
KCNH2 known ✓ Q12809 1/20 0.38
BRD4 O60885 3/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
PARP14 Q460N5 1/20 0.42
NMT1 P30419 5/20 0.41
NMT2 O60551 2/20 0.41
ATM Q13315 1/20 0.38
ATR Q13535 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL16695026 0.99 EGFR (0.45) EGFRERBB4ERBB2BRD4CNR1
SCHEMBL1486692 0.81 PARP14 (0.47) BRD4CNR1CNR2PARP14NMT1
SCHEMBL1486803 0.79 PARP14 (0.46) CNR1CNR2PARP14KCNH2ATM
SCHEMBL4382751 0.79 PARP14 (0.47) BRD4CNR1CNR2PARP14NMT1
SCHEMBL2399083 0.77 EGFR (0.52) EGFRERBB4ERBB2NMT1NMT2
SCHEMBL1486678 0.73 KCNH2 (0.45) BRD4CNR1CNR2PARP14NMT1
SCHEMBL2113617 0.73 KCNH2 (0.41) EGFRCNR1CNR2KCNH2ATM
SCHEMBL1486624 0.72 ATM (0.43) CNR1CNR2PARP14NMT1NMT2
Hydrochloric Acid SCHEMBL1486576 0.72 RAB9A (0.41) EGFRERBB4ERBB2NMT1NMT2
SCHEMBL2400359 0.71 GSK3B (0.52) EGFRERBB4ERBB2NMT1NMT2

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-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed
US-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2015-01-22 US disclosed
US-8871782-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-28 US disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US disclosed
WO-2005032484-A9 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-05-18 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-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 EGFR 2418/4885ERBB4 1321/4885ERBB2 1507/4885
US-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 EGFR 2418/4885ERBB4 1321/4885ERBB2 1507/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 EGFR 2418/4885ERBB4 1321/4885ERBB2 1507/4885

“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.