Hydrochloric Acid

Hydrochloric Acid

SCHEMBL18939100

CCOC(=N)c1ccc(CN2CCn3nccc32)cc1.Cl

nearest known ligand 0.40

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
▸ DPP4 known ✓ P27487 1/20 0.33
▸ HDAC1 known ✓ Q13547 1/20 0.32
▸ HDAC6 known ✓ Q9UBN7 1/20 0.32
▸ HCRTR1 known ✓ O43613 1/20 0.31
▸ HCRTR2 known ✓ O43614 1/20 0.31
▸ DGAT1 O75907 1/20 0.40
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ STAT3 P40763 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL18960795 0.99 DGAT1 (0.41) DGAT1MEN1KMT2ADPP4MAPT
Hydrochloric Acid SCHEMBL28648967 0.86 MEN1 (0.48) MEN1KMT2ADPP4MAPTLMNA
SCHEMBL18939001 0.80 F10 (0.41) HDAC1HDAC6
SCHEMBL18952166 0.76 HDAC1 (0.38) MEN1KMT2ALMNASMN1; SMN2RAB9A
SCHEMBL18960796 0.73 HDAC1 (0.40) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL18952188 0.71 CYP19A1 (0.34) —
SCHEMBL9020139 0.70 GSK3A (0.40) MEN1KMT2ALMNAMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL18939008 0.70 DGAT1 (0.41) DGAT1MEN1KMT2ADPP4MAPT
Hydrochloric Acid SCHEMBL20766398 0.69 DGAT1 (0.60) DGAT1MEN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL17512889 0.69 DGAT1 (0.60) DGAT1MEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48097-E1 Cephem compounds, their production and use NAEJA-RGM PHARMACEUTICALS ULC (CA) 2020-07-14 — — US disclosed
EP-3386977-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM Pharmaceuticals ULC (CA) 2018-10-17 — — EP disclosed
US-9751894-B2 Cephem compounds, their production and use NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-09-05 — — US disclosed
WO-2017096472-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-06-15 — — WO disclosed
US-20170166587-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS ULC (CA) 2017-06-15 — — 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 (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-20170166587-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE CEP170, AADAC, NAA50 DPP4 2869/4885HDAC1 1318/4885HDAC6 370/4885

“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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