Hydrochloric Acid

Hydrochloric Acid

SCHEMBL856874

COc1ccc(CN)cc1Cl.Cl

nearest known ligand 0.67

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 16)

geneUniProtsupporting neighboursconfidence
TTR known ✓ P02766 1/20 0.49
GLA known ✓ P06280 1/20 0.47
CSNK2A1 P68400 8/20 0.67
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
LMNA P02545 1/20 0.46
APEX1 P27695 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL506373 0.98 CSNK2A1 (0.66) CSNK2A1KMT2AMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1467248 0.85 KDM4E (0.68) CSNK2A1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL28467993 0.85 CSNK2A1 (0.60) CSNK2A1KMT2AMEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8299478 0.85 CSNK2A1 (0.53) CSNK2A1KMT2AMEN1ALDH1A1GLA
SCHEMBL8349185 0.84 KDM4E (0.56) CSNK2A1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL714973 0.83 KDM4E (0.70) KMT2AMEN1ALDH1A1SMN1; SMN2GLA
SCHEMBL16216977 0.83 CSNK2A1 (0.53) CSNK2A1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL29673212 0.82 CSNK2A1 (0.51) CSNK2A1KMT2AMEN1ALDH1A1TTR
SCHEMBL559310 0.82 CSNK2A1 (0.51) CSNK2A1KMT2AMEN1ALDH1A1TTR
Hydrochloric Acid SCHEMBL9726669 0.82 ATM (0.68) CSNK2A1KMT2AMEN1ALDH1A1GLA

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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131431-A1 CHEMICAL ADDITIVES AND SURFACTANT COMBINATIONS FOR FAVORABLE WETTABILITY ALTERATION AND IMPROVED HYDROCARBON RECOVERY FACTORS ALCHEMY SCIENCES INC (US) 2020-04-30 US claimed
US-10059654-B2 Composition containing 3-chloro-4-methoxybenzylamine hydrochloride, and method for producing same AIR WATER INC. (JP) 2018-08-28 US claimed
US-20180029974-A1 COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME AIR WATER INC (JP) 2018-02-01 US claimed
EP-3138830-A1 COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME Air Water Inc. (JP) 2017-03-08 EP claimed
US-20170044091-A1 COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME AIR WATER INC. (JP) 2017-02-16 US claimed
WO-2015001567-A1 PROCESS FOR THE PREPARATION OF (S)-4-[(3-CHLORO-4-METHOXYBENZYL)AMINO]-2-[2- (HYDROXYMETHYL)-1-PYRROLIDINYL]-N-(2-PYRIMIDINYL METHYL-5-PYRIMIDINE CARBOXAMIDE MSN LABORATORIES PRIVATE LIMITED (IN) 2015-01-08 WO claimed
CN-103435599-A Solid-phase preparation method of avanafil NANJING UNIVERSITY OF TECHNOLOGY 2013-12-11 CN claimed
CN-118580239-A Pyrimidopyridone derivative PDE5 inhibitor and application thereof 常州亚邦制药有限公司 2024-09-03 CN disclosed
CN-117430591-A Synthesis method of avanafil 康普药业股份有限公司 2024-01-23 CN disclosed
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-12-26 US disclosed
CN-115304578-B Organic-inorganic hybrid perovskite material, preparation method and application thereof, and electronic equipment 天津大学 2023-11-21 CN disclosed
CN-115304578-A Organic-inorganic hybrid perovskite material, preparation method and application thereof, and electronic device 天津大学 2022-11-08 CN disclosed
CN-110146633-B Method for separating special impurities in non-steroidal anti-inflammatory drug 湖南普道医药技术有限公司 2022-02-22 CN disclosed
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5801180-A ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS EISAI CO., LTD. (JP) 1998-09-01 US disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
US-5693652-A Benzimidazoles for ischemic heart conditions EISAI CO., LTD. (JP) 1997-12-02 US disclosed
US-5576322-A Anti-ischemic 2,4-diaminoquinazolines EISAI CO., LTD. (JP) 1996-11-19 US disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed
EP-0607439-A1 NITROGENOUS HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 1994-07-27 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 (4 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-10059654-B2 Composition containing 3-chloro-4-methoxybenzylamine hydrochloride, and method for producing same CMBL, HAO2, CPNE4 TTR 2995/4885GLA 3383/4885CSNK2A1 449/4885
US-20170044091-A1 COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME CMBL, HAO2, CPNE4 TTR 2995/4885GLA 3383/4885CSNK2A1 449/4885
US-11851427-B2 Phosphodiesterase inhibitors and uses thereof PDE5A, PDE2A, PDE3A TTR 4562/4885GLA 448/4885CSNK2A1 2228/4885
US-20180029974-A1 COMPOSITION CONTAINING 3-CHLORO-4-METHOXYBENZYLAMINE HYDROCHLORIDE, AND METHOD FOR PRODUCING SAME CMBL, HAO2, CPNE4 TTR 2995/4885GLA 3383/4885CSNK2A1 449/4885

“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.