Sugi Predict

Sugi Predict / Compounds / SCHEMBL283110

SCHEMBL283110

SCHEMBL283110

CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.68
▸ PGR P06401 1/20 0.68
▸ CHRM2 P08172 1/20 0.68
▸ HTR1A P08908 1/20 0.68
▸ ADRA2A P08913 1/20 0.68
▸ ADORA3 P0DMS8 1/20 0.68
▸ CHRM1 P11229 1/20 0.68
▸ DRD1 P21728 1/20 0.68
▸ TBXA2R P21731 1/20 0.68
▸ SLC6A2 P23975 1/20 0.68
▸ PDE4A P27815 1/20 0.68
▸ SLC6A4 P31645 1/20 0.68
▸ ADRA1A P35348 1/20 0.68
▸ OPRM1 P35372 1/20 0.68
▸ DRD3 P35462 1/20 0.68
▸ SLC6A3 Q01959 1/20 0.68
▸ KCNH2 Q12809 1/20 0.68
▸ HRH3 Q9Y5N1 1/20 0.68
▸ ABCB11 O95342 1/20 0.67
▸ KCNA5 P22460 1/20 0.67

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
SCHEMBL30140813 1.00 ESR1 (0.68) ESR1PGRCHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL5711138 0.99 ABCB11 (0.68) ESR1PGRCHRM2HTR1AADRA2A
Oxalic Acid SCHEMBL458163 0.97 ESR1 (0.65) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL16320899 0.97 ESR1 (0.64) ESR1PGRCHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL9485240 0.96 ABCB11 (0.65) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL9486866 0.96 ESR1 (0.63) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL9486560 0.96 ESR1 (0.62) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL9485985 0.94 ESR1 (0.59) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL4567254 0.94 KDM5A (0.58) ESR1PGRCHRM2HTR1AADRA2A
SCHEMBL10047598 0.93 ESR1 (0.58) ESR1PGRCHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107982548-A Compartmentation method of nucleic acid conveying and combinations thereof and application 全球生物疗法有限公司 2018-05-04 — — CN claimed
US-9499507-B2 Method for preparing 5-amino-benzoyl-benzofuran derivatives SANOFI (FR) 2016-11-22 — — US claimed
EP-2630131-B1 PROCESS FOR OBTAINING DRONEDARONE LESVI LABORATORIOS SL (ES) 2016-04-06 — — EP claimed
US-20150031901-A1 METHOD FOR PREPARING 5-AMINO-BENZOFURAN DERIVATIVES SANOFI (FR) 2015-01-29 — — US claimed
US-8884033-B2 Process for preparing aminobenzoylbenzofuran derivatives SANOFI (FR) 2014-11-11 — — US claimed
US-20130165675-A1 PROCESS FOR PREPARING AMINOBENZOYLBENZOFURAN DERIVATIVES SANOFI (FR) 2013-06-27 — — US claimed
WO-2013079866-A1 METHOD FOR PREPARING 5-AMINO-BENZOYL-BENZOFURAN DERIVATIVES SANOFI (FR) 2013-06-06 — — WO claimed
EP-2595976-A1 PROCESS FOR PREPARING AMINOBENZOYLBENZOFURAN DERIVATIVES SANOFI (FR) 2013-05-29 — — EP claimed
WO-2012153225-A1 IMPROVED PROCESSES FOR OBTAINING HIGH PURITY OF DRONEDARONE HYDROCHLORIDE ALEMBIC PHARMACEUTICALS LIMITED (IN) 2012-11-15 — — WO claimed
CN-102690250-A Dronedarone intermediate and preparation method thereof ZHENGZHOU MINGZE MEDICAL TECHNOLOGY CO LTD 2012-09-26 — — CN claimed
WO-2012010788-A1 PROCESS FOR PREPARING AMINOBENZOYLBENZOFURAN DERIVATIVES SANOFI (FR) 2012-01-26 — — WO claimed
WO-2012007959-A1 PROCESS FOR PREPARING DRONEDARONE GLENMARK GENERICS LIMITED (IN) 2012-01-19 — — WO claimed
WO-2012004658-A2 PROCESS FOR PREPARATION OF N-[2-BUTYL-3-[4-[3-(DIBUTYLAMINO)PROPOXY]BENZOYL]-5-BENZOFURANYL]METHANESULFONAMIDE, ACID ADDITION SALTS AND PRODUCT THEREOF FRICHEM PRIVATE LIMITED (IN) 2012-01-12 — — WO 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
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
CN-1479706-A 2-butyl-3- (4- [ 3- (dibutylamino) propoxy ] benzoyl) -5-nitrobenzofuran hydrochloride and preparation thereof 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
EP-1351907-A1 2-BUTYL-3-(4- 3(DIBUTYLAMINO)PROPOXY BENZOYL)-5-NITRO-BENZOFURAN HYDROCHLORIDE AND PREPARATION THEREOF Sanofi-Aventis (FR) 2003-10-15 — — EP claimed
WO-2002048078-A1 2-BUTYL-3-(4-[3(DIBUTYLAMINO)PROPOXY]BENZOYL)-5-NITRO-BENZOFURAN HYDROCHLORIDE AND PREPARATION THEREOF SANOFI-SYNTHELABO (FR) 2002-06-20 — — WO claimed

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-20130165675-A1 PROCESS FOR PREPARING AMINOBENZOYLBENZOFURAN DERIVATIVES ALKBH5, ALKBH1, PRMT5 ESR1 3612/4885PGR 3426/4885CHRM2 1056/4885
US-20150031901-A1 METHOD FOR PREPARING 5-AMINO-BENZOFURAN DERIVATIVES ALKBH5, CYP3A5, ALKBH1 ESR1 1829/4885PGR 1566/4885CHRM2 2801/4885
US-20040010032-A1 2-butyl-3-(4-[3(dibutylamino)propoxy]benzoyl)-5-nitro-benzofuran hydrochloride and preparation thereof CYP2D6, DBF4, DUT ESR1 4489/4885PGR 3574/4885CHRM2 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.