SCHEMBL613341

SCHEMBL613341

NC1(c2ccc3occc3c2)C(=O)Nc2cc(Cl)cc(Cl)c21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.37
CYP2A6 P11509 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALOX12 P18054 1/20 0.34
FABP4 P15090 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
FABP3 P05413 1/20 0.34
FABP5 Q01469 1/20 0.34
GHSR Q92847 2/20 0.33
DRD1 P21728 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
SCHEMBL610603 0.84 HTR6 (0.37) HTR6ALDH1A1ALOX12FABP4TP53
SCHEMBL627521 0.83 ALDH1A1 (0.39) HTR6ALDH1A1ALOX12FABP4TP53
SCHEMBL3459638 0.79 GHSR (0.46) HTR6ALDH1A1TP53MAPTGHSR
SCHEMBL128252 0.79 HTR6 (0.51) HTR6ALDH1A1TP53MAPTGHSR
SCHEMBL610504 0.76 GHSR (0.50) ALDH1A1ALOX12FABP4TP53MAPT
SCHEMBL10018770 0.75 LMNA (0.38) CYP2A6ALDH1A1MAPT
SCHEMBL125679 0.73 AHR (0.40) HTR6ALDH1A1TP53MAPTGHSR
SCHEMBL613042 0.70 GHSR (0.75) GHSR
SCHEMBL18810148 0.65 CYP2A6 (0.36) CYP2A6
SCHEMBL3459900 0.63 HTR6 (0.55) HTR6ALDH1A1TP53MAPTGHSR

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-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
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
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 HTR6 133/4885CYP2A6 664/4885ALDH1A1 105/4885
US-20110312972-A1 SUBSTITUTED 3-BENZOFURANYL-INDOL-2-ONE-3-ACETAMIDIDOPIPERAZINE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF IDO1, TPH1, QDPR HTR6 133/4885CYP2A6 664/4885ALDH1A1 105/4885
US-20120040996-A1 3-BENZOFURANYL-INDOL-2-ONE DERIVATIVES SUBSTITUTED AT THE 3 POSITION, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF TPH1, IDO1, TPH2 HTR6 101/4885CYP2A6 584/4885ALDH1A1 177/4885

“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.