SCHEMBL3877950

SCHEMBL3877950

COCc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
RAB9A P51151 2/20 0.47
IDO1 P14902 6/20 0.47
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL12903738 0.81 IDO1 (0.46) CFTRRAB9AIDO1ALDH1A1KDM4E
SCHEMBL14367955 0.81 ALDH1A1 (0.52) CFTRL3MBTL1RAB9AIDO1MAPT
SCHEMBL15731295 0.80 CFTR (0.44) CFTRL3MBTL1RAB9AIDO1MAPT
SCHEMBL16214946 0.80 IDO1 (0.67) RAB9AIDO1SLC6A2SLC6A4SLC6A3
SCHEMBL25735766 0.80 IDO1 (0.46) IDO1SLC6A4CYP1A2
SCHEMBL20708934 0.79 PDE2A (0.45) IDO1SLC6A4CYP1A2
SCHEMBL16892265 0.79 MBOAT4 (0.46) L3MBTL1RAB9AIDO1MAPTSLC6A4
SCHEMBL20170315 0.77 IDO1 (0.38) CFTRL3MBTL1RAB9AIDO1MAPT
SCHEMBL4590973 0.77 ALDH1A1 (0.47) CFTRL3MBTL1RAB9AIDO1MAPT
SCHEMBL31472982 0.77 ALDH1A1 (0.47) CFTRL3MBTL1RAB9AIDO1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
CN-101098868-A Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA SA (FR) 2008-01-02 CN disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 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 (1 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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use IDO1, RB1, IDO2 CFTR 4452/4885L3MBTL1 1395/4885RAB9A 445/4885

“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.