SCHEMBL627521

SCHEMBL627521

O=C1Nc2cc(Cl)cc(Cl)c2C1(O)c1ccc2occc2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALOX12 P18054 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
HTR6 P50406 8/20 0.37
FABP4 P15090 3/20 0.36
FABP3 P05413 1/20 0.36
FABP5 Q01469 1/20 0.36
GHSR Q92847 3/20 0.35
DRD1 P21728 1/20 0.35
CNR1 P21554 1/20 0.34
BRD4 O60885 2/20 0.34

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
SCHEMBL610603 0.87 HTR6 (0.37) ALDH1A1ALOX12TP53MAPTHTR6
SCHEMBL613341 0.83 HTR6 (0.37) ALDH1A1ALOX12TP53MAPTHTR6
SCHEMBL6180564 0.80 ALDH1A1 (0.46) ALDH1A1ALOX12TP53MAPTHTR6
SCHEMBL610504 0.79 GHSR (0.50) ALDH1A1ALOX12TP53MAPTFABP4
SCHEMBL10018774 0.75 POLB (0.54) ALDH1A1MAPTBRD4
SCHEMBL128573 0.73 ALDH1A1 (0.44) ALDH1A1ALOX12TP53MAPTHTR6
SCHEMBL613042 0.72 GHSR (0.75) GHSR
SCHEMBL3724355 0.69 GHSR (0.57) ALDH1A1GHSR
SCHEMBL18810149 0.68 CYP2A6 (0.36)
SCHEMBL5981551 0.67 ALDH1A1 (0.47) ALDH1A1ALOX12TP53MAPTHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9889130-B2 Substituted 3-benzofuranyl-indol-2-one-3-acetamididopiperazine derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2018-02-13 US disclosed
US-20170119761-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2017-05-04 US disclosed
EP-2396319-B1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-07-17 EP disclosed
EP-2396320-B1 3-BENZOFURANYL-INDOL-2-ONE DERIVATIVES SUBSTITUTED AT THE 3 POSITION, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-05-15 EP disclosed
US-20120040996-A1 3-BENZOFURANYL-INDOL-2-ONE DERIVATIVES SUBSTITUTED AT THE 3 POSITION, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
US-20110312972-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-22 US disclosed
EP-2396319-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-21 EP disclosed
EP-2396320-A1 3-BENZOFURANYL-INDOL-2-ONE DERIVATIVES SUBSTITUTED AT THE 3 POSITION, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-21 EP disclosed
WO-2010092289-A1 3-BENZOFURANYL-INDOL-2-ONE DERIVATIVES SUBSTITUTED AT THE 3 POSITION, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-19 WO disclosed
WO-2010092288-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-19 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-20170119761-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF IDO1, TPH1, QDPR ALDH1A1 105/4885ALOX12 3005/4885TP53 2060/4885
US-20110312972-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF IDO1, TPH1, QDPR ALDH1A1 105/4885ALOX12 3005/4885TP53 2060/4885
US-20120040996-A1 3-BENZOFURANYL-INDOL-2-ONE DERIVATIVES SUBSTITUTED AT THE 3 POSITION, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF TPH1, IDO1, TPH2 ALDH1A1 177/4885ALOX12 2588/4885TP53 1575/4885

“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.