SCHEMBL125776

SCHEMBL125776

O=C1Nc2cc(Cl)c(Cl)cc2C1(Br)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.43
HTR6 P50406 5/20 0.42
AKR1B1 P15121 1/20 0.36
CES1 P23141 2/20 0.36
PDE7A Q13946 1/20 0.36
IDO1 P14902 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 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
SCHEMBL7468698 0.87 HTR6 (0.41) GHSRHTR6AKR1B1CES1PDE7A
SCHEMBL121113 0.81 GHSR (0.43) GHSRHTR6AKR1B1PDE7AIDO1
SCHEMBL4590370 0.77 AKR1B1 (0.36) HTR6AKR1B1CES1PDE7A
SCHEMBL3459900 0.76 HTR6 (0.55) GHSRHTR6
SCHEMBL7471467 0.76 MAPT (0.50) HTR6AKR1B1PDE7AIDO1
SCHEMBL125321 0.69 GHSR (0.66) GHSR
SCHEMBL5345525 0.69 AKR1C3 (0.47) HTR6AKR1B1PDE7AIDO1
SCHEMBL7471179 0.68 BRD4 (0.47) GHSRHTR6AKR1B1PDE7A
SCHEMBL5344885 0.67 AHR (0.46) AKR1B1CES1PDE7AIDO1CMA1
SCHEMBL128576 0.67 BRD4 (0.56) GHSRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103443076-B Indol-2-one derivatives disubstituted in position 3, their preparation and their therapeutic application 赛诺菲-安万特 2016-06-22 CN disclosed
CN-103443076-A Indol-2-one derivatives disubstituted in position 3, their preparation and their therapeutic application SANOFI AVENTIS 2013-12-11 CN disclosed
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 GHSR 2882/4885HTR6 18/4885AKR1B1 1742/4885
US-20110118280-A1 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF IDO2, IDO1, TPH2 GHSR 2882/4885HTR6 18/4885AKR1B1 1742/4885

“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.