SCHEMBL2164246

SCHEMBL2164246

CS(=O)(=O)[O-].C[n+]1ccccc1Cl

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. 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
HDAC8 Q9BY41 7/20 0.39
APOBEC3A P31941 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.34
PABPC1 P11940 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
ACHE P22303 2/20 0.32
TSHR P16473 1/20 0.32
HRH1 P35367 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL11256315 0.87 NPSR1 (0.39) HDAC8APOBEC3AAPOBEC3GNPSR1KDM4E
Trifluoromethanesulfonic Acid SCHEMBL4476327 0.85 GPR3 (0.42) ACHE
SCHEMBL29502455 0.85
SCHEMBL300758 0.85
SCHEMBL717113 0.83 LMNA (0.49) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL31753460 0.83 LMNA (0.49) KDM4ELMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7950735 0.83
Hydrochloric Acid SCHEMBL467422 0.83
Methane SCHEMBL15323400 0.83
Iodide SCHEMBL21810784 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108456198-B Preparation method of vilazodone or hydrochloride thereof 江苏豪森药业集团有限公司 2021-11-26 CN disclosed
US-20210251986-A1 POLYMORPHIC FORMS OF 1-[4-(5-CYANOINDOL-3-YL)BUTYL]-4-(2-CARBAMOYLBENZOFURAN-5-YL) PIPERAZINE HYDROCHLORIDE MERCK PATENTGESELLSCHAFT (DE) 2021-08-19 US disclosed
US-20190343831-A1 POLYMORPHIC FORMS OF 1-[4-(5-CYANOINDOL-3-YL)BUTYL]-4-(2-CARBAMOYLBENZOFURAN-5-YL) PIPERAZINE HYDROCHLORIDE MERCK PATENTGESELLSCHAFT (DE) 2019-11-14 US disclosed
US-9969721-B2 Process for the preparation of vilazodone hydrochloride and its amorphous form ALEMBIC PHARMACEUTICALS LIMITED (IN) 2018-05-15 US disclosed
US-20180002305-A1 PROCESS FOR PREPARING BENZOFURAN-2-CARBOXAMIDE DERIVATIVES SYMED LABS LIMITED (IN) 2018-01-04 US disclosed
US-9796695-B2 Process for preparing benzofuran-2-carboxamide derivatives SYMED LABS LIMITED (IN) 2017-10-24 US disclosed
US-20170267655-A1 PROCESS FOR PREPARING BENZOFURAN-2-CARBOXAMIDE DERIVATIVES SYMED LABS LIMITED (IN) 2017-09-21 US disclosed
US-20170182037-A1 POLYMORPHIC FORMS OF 1-[4-(5-CYANOINDOL-3-YL)BUTYL]-4-(2-CARBAMOYLBENZOFURAN-5-YL) PIPERAZINE HYDROCHLORIDE MERCK PATENTGESELLSCHAFT (DE) 2017-06-29 US disclosed
US-9682946-B2 Process for preparing benzofuran-2-carboxamide derivatives SYMED LABS LIMITED (IN) 2017-06-20 US disclosed
US-9624204-B2 Polymorphic forms of 1-[4-(5-cyanoindol-3-yl)butyl]-4-(2-carbamoylbenzofuran-5-yl) piperazine hydrochloride MERCK PATENTGESELLSCHAFT (DE) 2017-04-18 US disclosed
EP-1397357-A2 POLYMORPHIC FORMS OF 1-'4-(5-CYANOINDOL-3-YL)BUTYL-4-(2-CARBAMOYLBENZOFURAN-5-YL)PIPERAZINE HYDROCHLORIDE MERCK PATENT GmbH (DE) 2004-03-17 EP disclosed
WO-2002102794-A2 POLYMORPHIC FORMS OF 1-'4-(5-CYANOINDOL-3-YL)BUTYL-4-(2-CARBAMOYLBENZOFURAN-5-YL)PIPERAZINE HYDROCHLORIDE MERCK PATENT GMBH (DE) 2002-12-27 WO disclosed
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed
US-5670511-A Indolepiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-09-23 US disclosed
EP-0648767-B1 Piperdine and piperazine derivatives which affect the C.N.S. MERCK PATENT GMBH (DE) 1997-05-28 EP disclosed
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed
US-5532241-A Piperidines and piperazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed
EP-0648767-A1 Piperdine and piperazine derivatives which affect the C.N.S. MERCK PATENT GmbH (DE) 1995-04-19 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 (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-20180002305-A1 PROCESS FOR PREPARING BENZOFURAN-2-CARBOXAMIDE DERIVATIVES HTR3C, VIL1, HTR4 HDAC8 226/4885APOBEC3A 812/4885APOBEC3G 1408/4885
US-20170267655-A1 PROCESS FOR PREPARING BENZOFURAN-2-CARBOXAMIDE DERIVATIVES HTR3C, VIL1, HTR4 HDAC8 226/4885APOBEC3A 812/4885APOBEC3G 1408/4885

“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.