Sugi Predict

Sugi Predict / Compounds / SCHEMBL282809

SCHEMBL282809

SCHEMBL282809

CCCCc1cc2cc(NS(C)(=O)=O)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ DRD3 P35462 1/20 0.42

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
SCHEMBL30140848 1.00 NPC1 (0.43) NPC1RAB9AKDM4EPOLBATM
SCHEMBL2222051 0.99 NPC1 (0.42) NPC1RAB9AKDM4EPOLBATM
SCHEMBL2219935 0.99 NPC1 (0.42) NPC1RAB9AKDM4EPOLBATM
SCHEMBL2223463 0.99 NPC1 (0.42) NPC1RAB9AKDM4EPOLBATM
SCHEMBL2223454 0.99 NPC1 (0.42) NPC1RAB9AKDM4EPOLBATM
SCHEMBL2223173 0.99 NPC1 (0.42) NPC1RAB9AKDM4EPOLBATM
SCHEMBL14635456 0.89 ALOX15 (0.41) KDM4EHRH3ALOX15STSPTPN5
SCHEMBL14331053 0.80 ALOX15 (0.45) KDM4EHRH3ALOX15STSMEN1
SCHEMBL2561686 0.78 ALDH1A1 (0.46) NPC1RAB9AKDM4EPOLBALOX15
SCHEMBL30140835 0.78 ALDH1A1 (0.46) NPC1RAB9AKDM4EPOLBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816103-B2 Process for the preparation of dronedarone SANOFI (FR) 2014-08-26 — — US 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
EP-2595978-A1 NOVEL PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2013-05-29 — — EP claimed
US-20130131358-A1 Novel Process for the Preparation of Dronedarone SANOFI (FR) 2013-05-23 — — 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-2012010913-A1 NOVEL PROCESS FOR THE PREPARATION OF DRONEDARONE SANOFI (FR) 2012-01-26 — — WO claimed
EP-2371808-A1 Process for preparing dronedarone Ratiopharm GmbH (DE) 2011-10-05 — — 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
US-20050049302-A1 Process for the preparation of dronedarone ISP INVESTMENTS LLC 2005-03-03 — — 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
EP-1343777-A1 METHANESULPHONAMIDO-BENZOFURAN, PREPARATION METHOD AND USE THEREOF AS SYNTHESIS INTERMEDIATE SANOFI-SYNTHELABO (FR) 2003-09-17 — — EP claimed
WO-2003040120-A1 PROCESS FOR THE PREPARATION OF DRONEDARONE ISP INVESTMENTS INC. (US) 2003-05-15 — — WO claimed
WO-2002048132-A1 METHANESULPHONAMIDO-BENZOFURAN, PREPARATION METHOD AND USE THEREOF AS SYNTHESIS INTERMEDIATE SANOFI-SYNTHELABO (FR) 2002-06-20 — — WO claimed
CN-115521277-A Method for preparing benzofuran compound 山东新时代药业有限公司 2022-12-27 — — CN disclosed
WO-2002048132-A1 METHANESULPHONAMIDO-BENZOFURAN, PREPARATION METHOD AND USE THEREOF AS SYNTHESIS INTERMEDIATE SANOFI-SYNTHELABO (FR) 2002-06-20 — — 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 NPC1 714/4885RAB9A 257/4885KDM4E 1165/4885
US-20130131358-A1 Novel Process for the Preparation of Dronedarone CYP2F1, CYP3A4, CYP2D6 NPC1 442/4885RAB9A 432/4885KDM4E 543/4885
US-20040048921-A1 Methanesulphonamido-benzofuran, preparation method and use thereof as synthesis intermediate CYP2F1, DHPS, CYP2D6 NPC1 959/4885RAB9A 1874/4885KDM4E 1184/4885
US-20050049302-A1 Process for the preparation of dronedarone CACNA1C, CACNA1A, KCNH1 NPC1 2331/4885RAB9A 71/4885KDM4E 686/4885

“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.