SCHEMBL476728

SCHEMBL476728

Cc1cc2ccc(Cl)c(Cl)c2n1CCCI

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 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
SCHEMBL5673232 0.86 HTR2A (0.35) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL20504942 0.81 HTR2A (0.36) ALDH1A1HTR2AHTR2C
SCHEMBL476619 0.77 ALDH1A1 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL476675 0.74 LMNA (0.34) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL22434876 0.73 SIRT2 (0.37) KDM4EMEN1KMT2AHTR2AHTR2C
SCHEMBL3296244 0.73 SMN1; SMN2 (0.37) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL476672 0.71 HASPIN (0.41) KDM4EMEN1ALDH1A1GAAKMT2A
SCHEMBL476643 0.70 SIGMAR1 (0.35) SIGMAR1HTR2AHTR2C
SCHEMBL20505256 0.69 CYP1A2 (0.34) ALDH1A1
SCHEMBL5672286 0.68 CCR2 (0.37) KDM4EMEN1ALDH1A1GAAKMT2A

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 13 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
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-11-06 US disclosed
EP-1951225-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF sanofi-aventis (FR) 2008-08-06 EP disclosed
WO-2007057571-A2 3-ACYLINDOLE DERIVATIVES THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-24 WO 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
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

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-20040034090-A1 3-Arylindole derivatives and their use as cb2 receptor agonists CNR2, CNR1, GPR52 SIGMAR1 246/4885KDM4E 2393/4885MEN1 4590/4885
US-20060089345-A1 Indole derivatives, method for preparating same and pharmaceutical compositions containing same CNR2, CNR1, IDO2 SIGMAR1 714/4885KDM4E 1563/4885MEN1 2726/4885
US-20080275102-A1 3-ACYLINDOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF F12, ECI1, NQO2 SIGMAR1 285/4885KDM4E 1501/4885MEN1 1241/4885

“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.