SCHEMBL476604

SCHEMBL476604

Cc1cc2cccc(Cl)c2n1CCCNS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.39
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CG P48736 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL476711 0.86 PTGS1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL476692 0.85 TLR7 (0.40) RECQLKCNJ5KCNJ3MEN1KMT2A
SCHEMBL476681 0.85 MEN1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL476619 0.85 ALDH1A1 (0.39) RECQLKCNJ5KCNJ3MEN1KMT2A
SCHEMBL476538 0.85 SMN1; SMN2 (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL476594 0.84 ALDH1A1 (0.37) KCNJ5KCNJ3MEN1KMT2ACYP1A2
SCHEMBL476636 0.83 HTR7 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL476641 0.79 MEN1 (0.61) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5675132 0.79 MEN1 (0.44) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL5672286 0.78 CCR2 (0.37) MEN1KMT2AALDH1A1POLBMAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951225-B1 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI SA (FR) 2012-02-01 EP disclosed
US-7741363-B2 3-Acylindole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-06-22 US disclosed
EP-1567150-B1 DERIVATIVES OF INDOLE-3-CARBOXAMIDE, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2009-08-12 EP disclosed
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US disclosed
US-7202268-B2 Derivatives of indole-3-carboxamide, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2007-04-10 US disclosed
US-7138424-B2 Indole derivatives, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2006-11-21 US disclosed
US-20060089345-A1 Indole derivatives, method for preparating same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2006-04-27 US disclosed
US-6995184-B2 Such as (7-chloro-2-methyl-1-(3-(methylsulphanyl)propyl)-1H-indol-3-yl)(2,3-dichloro-phenyl)methanone; cannabinoid receptors (cb2); G proteins coupled receptors SANOFI-AVENTIS (FR) 2006-02-07 US disclosed
US-20050288356-A1 Derivatives of indole-3-carboxamide, preparation method thereof and application of same in therapeutics SANOFI-AVENTIS (FR) 2005-12-29 US disclosed
EP-1507758-B1 INDOLE DERIVATIVES AND THEIR USE AS LIGANDS FOR CB2 RECEPTORS SANOFI AVENTIS (FR) 2005-11-02 EP disclosed
EP-1339679-B1 3-ARYLINDOLE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS SANOFI AVENTIS (FR) 2005-08-10 EP disclosed
EP-1507758-A2 INDOLE DERIVATIVES AND THEIR USE AS LIGANDS FOR CB2 RECEPTORS Sanofi-Aventis (FR) 2005-02-23 EP disclosed
US-20040034090-A1 3-Arylindole derivatives and their use as cb2 receptor agonists SANOFI-AVENTIS (FR) 2004-02-19 US disclosed
WO-2003097597-A2 INDOLE DERIVATIVES AND THE USE THEREOF AS CB2 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2003-11-27 WO disclosed
EP-1339679-A1 3-ARYLINDOLE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS Sanofi-Aventis (FR) 2003-09-03 EP disclosed
WO-2002042269-A1 3-ARYLINDOLE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS SANOFI-SYNTHELABO (FR) 2002-05-30 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-20050288356-A1 Derivatives of indole-3-carboxamide, preparation method thereof and application of same in therapeutics IDO1, IDO2, TDO2 RECQL 3211/4885KCNJ5 2369/4885KCNJ3 1438/4885
US-20040034090-A1 3-Arylindole derivatives and their use as cb2 receptor agonists CNR2, CNR1, GPR52 RECQL 4704/4885KCNJ5 532/4885KCNJ3 481/4885
US-20060089345-A1 Indole derivatives, method for preparating same and pharmaceutical compositions containing same CNR2, CNR1, IDO2 RECQL 4761/4885KCNJ5 175/4885KCNJ3 278/4885
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 RECQL 420/4885KCNJ5 1347/4885KCNJ3 1334/4885

“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.