SCHEMBL125679

SCHEMBL125679

NC1(c2ccc(C(F)(F)F)cc2)C(=O)Nc2cc(Cl)cc(Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
HTR6 P50406 12/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
GHSR Q92847 1/20 0.35
DRD1 P21728 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNMA1 Q12791 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35

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
SCHEMBL128573 0.82 ALDH1A1 (0.44) AHRHTR6ALDH1A1TP53MAPT
SCHEMBL3459638 0.81 GHSR (0.46) HTR6ALDH1A1TP53MAPTGHSR
SCHEMBL123532 0.78 KCNQ3 (0.39) AHRGHSRKCNQ3KCNQ2KCNQ4
SCHEMBL27945952 0.73 ALDH1A1 (0.39) HTR6ALDH1A1TP53MAPTGHSR
SCHEMBL613341 0.73 HTR6 (0.37) HTR6ALDH1A1TP53MAPTGHSR
SCHEMBL27927691 0.68 ALDH1A1 (0.45) HTR6ALDH1A1TP53MAPTGHSR
SCHEMBL3459900 0.66 HTR6 (0.55) HTR6ALDH1A1TP53MAPTGHSR
SCHEMBL125646 0.66 KCNQ3 (0.39) AHRGHSRKCNQ3KCNQ2KCNQ4
SCHEMBL121113 0.64 GHSR (0.43) AHRHTR6GHSR
SCHEMBL7466394 0.61 MAPT (0.41) HTR6ALDH1A1MAPTDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202871-B2 Indol-2-one derivatives disubstituted in the 3-position, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-19 US disclosed
EP-2188253-B1 Indol-2-one derivatives disubstituted in 3-position, preparation thereof and therapeutic use thereof SANOFI SA (FR) 2012-03-07 EP disclosed
US-20110118280-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-05-19 US disclosed
US-20100210662-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-19 US disclosed
EP-2188253-A2 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-26 EP disclosed
WO-2009056707-A2 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-05-07 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 (2 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-20100210662-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, IDO1, TPH2 AHR 57/4885HTR6 18/4885ALDH1A1 908/4885
US-20110118280-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, IDO1, TPH2 AHR 57/4885HTR6 18/4885ALDH1A1 908/4885

“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.