Hydrochloric Acid

Hydrochloric Acid

SCHEMBL284154

CCCCN(CCCC)CCCOc1ccc(C(=O)Cl)cc1.Cl

nearest known ligand 0.63

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 19)

geneUniProtsupporting neighboursconfidence
BCHE known ✓ P06276 5/20 0.58
ACHE known ✓ P22303 3/20 0.54
CHRM2 known ✓ P08172 1/20 0.51
HTR1A known ✓ P08908 1/20 0.51
GAA known ✓ P10253 1/20 0.51
DRD3 known ✓ P35462 1/20 0.51
SCN1A known ✓ P35498 1/20 0.51
SLC6A3 known ✓ Q01959 1/20 0.51
KCNH2 known ✓ Q12809 1/20 0.51
SCN2A known ✓ Q99250 1/20 0.51
SCN3A known ✓ Q9NY46 1/20 0.51
THRA P10827 1/20 0.63
THRB P10828 1/20 0.63
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL321662 0.98 THRA (0.64) THRATHRBBCHEACHETP53
Hydrochloric Acid SCHEMBL11672602 0.94 BCHE (0.58) THRATHRBBCHEACHE
Hydrochloric Acid SCHEMBL11673412 0.90 HRH3 (0.60) BCHEACHELMNACHRM2HTR1A
SCHEMBL14329438 0.88 THRA (0.53) THRATHRBBCHETP53TSHR
SCHEMBL5424873 0.88 HRH3 (0.61) BCHEACHELMNACHRM2HTR1A
SCHEMBL162987 0.87 TP53 (0.64) TP53TSHRGAA
SCHEMBL12072552 0.87 THRA (0.53) THRATHRBBCHEACHETP53
Hydrochloric Acid SCHEMBL3853408 0.87 TP53 (0.69) THRATHRBBCHEACHETP53
Hydrochloric Acid SCHEMBL15049975 0.87 TP53 (0.69) THRATHRBBCHEACHETP53
SCHEMBL434056 0.85 L3MBTL1 (0.67) THRATHRBBCHEACHETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102675267-B Preparation method of dronedarone hydrochloride and intermediate of dronedarone hydrochloride JINAN FUCHUANG PHARMACEUTICAL TECHNOLOGY CO LTD 2015-05-13 CN claimed
EP-2521720-B1 NEW PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI SA (FR) 2014-03-12 EP claimed
US-8658809-B2 Process for the preparation of dronedarone SANOFI (FR) 2014-02-25 US claimed
US-20120330036-A1 Process for the preparation of dronedarone SANOFI (FR) 2012-12-27 US claimed
EP-2521720-A1 NEW PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2012-11-14 EP claimed
WO-2011083346-A1 NEW PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2011-07-14 WO claimed
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 US claimed
CN-1295200-C 2-butyl-3- (4- [3- (dibutylamino) propoxy ] benzoyl) -5-nitrobenzofuran hydrochloride and preparation thereof SANOFI SYNTHELABO (FR) 2007-01-17 CN claimed
EP-1351907-B1 2-BUTYL-3-(4- 3(DIBUTYLAMINO)PROPOXY BENZOYL)-5-NITRO-BENZOFURAN HYDROCHLORIDE AND PREPARATION THEREOF SANOFI AVENTIS (FR) 2006-11-15 EP claimed
CN-1229366-C Methanesulphonamido-benzofuran derivatives, process for their preparation and their use as synthesis intermediates SANOFI SYNTHELABO (FR) 2005-11-30 CN claimed
US-20050049302-A1 Process for the preparation of dronedarone ISP INVESTMENTS LLC 2005-03-03 US claimed
US-6846936-B2 2-butyl-3-(4-[3(dibutylamino)propoxy]benzoyl)-5-nitro-benzofuran hydrochloride and preparation thereof SANOFI-SYNTHELABO (FR) 2005-01-25 US claimed
US-6828448-B2 2-butyl-5-(methanesulfonamido)benzofuran; preparation of dronedarone SANOFI-SYNTHELABO (FR) 2004-12-07 US claimed
EP-1343777-B1 METHANESULPHONAMIDO-BENZOFURAN, PREPARATION METHOD AND USE THEREOF AS SYNTHESIS INTERMEDIATE SANOFI SYNTHELABO (FR) 2004-05-06 EP claimed
US-20040048921-A1 Methanesulphonamido-benzofuran, preparation method and use thereof as synthesis intermediate SANOFI (FR) 2004-03-11 US claimed
CN-1479735-A Methanesulphonamido-benzofuran derivative, preparation method and use thereof as synthesis ntermediate ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-03-03 CN claimed
US-20040010032-A1 2-butyl-3-(4-[3(dibutylamino)propoxy]benzoyl)-5-nitro-benzofuran hydrochloride and preparation thereof SANOFI (FR) 2004-01-15 US claimed
WO-2003040120-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE ISP INVESTMENTS INC. (US) 2003-05-15 WO claimed
CN-102675267-B Preparation method of dronedarone hydrochloride and intermediate of dronedarone hydrochloride JINAN FUCHUANG PHARMACEUTICAL TECHNOLOGY CO LTD 2015-05-13 CN disclosed
WO-2003040120-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE ISP INVESTMENTS INC. (US) 2003-05-15 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 (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-20120330036-A1 Process for the preparation of dronedarone CYP2D6, CYP3A4, CYP2B6 BCHE 1048/4885ACHE 2008/4885CHRM2 2142/4885
US-20040048921-A1 Methanesulphonamido-benzofuran, preparation method and use thereof as synthesis intermediate CYP2F1, DHPS, CYP2D6 BCHE 1500/4885ACHE 2724/4885CHRM2 4658/4885
US-20050049302-A1 Process for the preparation of dronedarone CACNA1C, CACNA1A, KCNH1 BCHE 922/4885ACHE 355/4885CHRM2 2333/4885
US-20040010032-A1 2-butyl-3-(4-[3(dibutylamino)propoxy]benzoyl)-5-nitro-benzofuran hydrochloride and preparation thereof CYP2D6, DBF4, DUT BCHE 1447/4885ACHE 2352/4885CHRM2 3899/4885

“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.