SCHEMBL3769626

SCHEMBL3769626

COc1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.72
BRAF P15056 3/20 0.69
MAPT P10636 11/20 0.56
POLB P06746 9/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 6/20 0.56
NPSR1 Q6W5P4 2/20 0.56
PKM P14618 2/20 0.56
MCL1 Q07820 4/20 0.56
HPGD P15428 4/20 0.56
GAA P10253 2/20 0.56
THRB P10828 2/20 0.56
RECQL P46063 1/20 0.54
ALDH1A1 P00352 7/20 0.53
L3MBTL1 Q9Y468 4/20 0.53

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
SCHEMBL12999422 0.92 GSK3B (0.69) GSK3BBRAFMAPTPOLBKMT2A
SCHEMBL31358739 0.82 MAPT (0.64) GSK3BBRAFMAPTPOLBKMT2A
SCHEMBL5145021 0.81 BRAF (0.71) GSK3BBRAFMAPTPOLBKMT2A
SCHEMBL5164047 0.80 BRAF (0.65) GSK3BBRAFMAPTPOLBKMT2A
SCHEMBL6397299 0.79 BRAF (0.68) GSK3BBRAFMAPTPOLBKMT2A
SCHEMBL5147292 0.78 PIK3CG (0.71) GSK3BBRAFMAPTPOLBKMT2A
SCHEMBL6397908 0.76 BRAF (0.69) GSK3BBRAFMAPTPOLBKMT2A
SCHEMBL5147260 0.76 BRAF (0.69) GSK3BBRAFMAPTPOLBKMT2A
SCHEMBL5162914 0.75 BRAF (0.64) GSK3BBRAFMAPTPOLBKMT2A
SCHEMBL12632706 0.74 GSK3A (0.61) GSK3BBRAFMAPTPOLBKMT2A

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-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 GSK3B 3324/4885BRAF 2663/4885MAPT 4500/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 GSK3B 3324/4885BRAF 2663/4885MAPT 4500/4885

“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.