SCHEMBL123532

SCHEMBL123532

NC1(c2ccc(C(F)(F)F)cc2)C(=O)Nc2cc(Cl)c(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNMA1 Q12791 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
GHSR Q92847 3/20 0.37
BRD4 O60885 2/20 0.37
AHR P35869 1/20 0.36
DAO P14920 1/20 0.35
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
SLC6A3 Q01959 1/20 0.33
RAD51 Q06609 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
KIF11 P52732 1/20 0.33
KDM1A O60341 1/20 0.33
TNKS O95271 1/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL121113 0.84 GHSR (0.43) GHSRBRD4AHRBRD2BRD3
SCHEMBL125646 0.82 KCNQ3 (0.39) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL125679 0.78 AHR (0.40) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL28806429 0.74 AKR1B1 (0.38) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL125776 0.66 GHSR (0.43) GHSRAHRAKR1B1
SCHEMBL128573 0.65 ALDH1A1 (0.44) GHSRAHR
SCHEMBL7468698 0.63 HTR6 (0.41) GHSRAKR1B1
SCHEMBL5674398 0.62 KMT2A (0.39) GHSRBRD4BRD2BRD3BRDT
SCHEMBL25942565 0.62 PDK2 (0.50) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL24690661 0.61 PGR (0.53) MAOBAKR1B1

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 KCNQ3 2032/4885KCNQ2 2227/4885KCNQ4 2965/4885
US-20110118280-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, IDO1, TPH2 KCNQ3 2032/4885KCNQ2 2227/4885KCNQ4 2965/4885

“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.