SCHEMBL10131

SCHEMBL10131

CNC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)n(C[C@@H]3CCN(C(=O)C4CC4)C3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.55
PTGER4 P35408 1/20 0.49
BRD2 P25440 1/20 0.45
EP300 Q09472 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
FASN P49327 1/20 0.45

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
SCHEMBL10132 1.00 BRD4 (0.55) BRD4PTGER4BRD2EP300BRD3
SCHEMBL22220768 1.00 BRD4 (0.55) BRD4PTGER4BRD2EP300BRD3
SCHEMBL22220913 0.92 BRD4 (0.51) BRD4PTGER4FASN
SCHEMBL13895 0.92 BRD4 (0.51) BRD4PTGER4FASN
SCHEMBL11909657 0.92 BRD4 (0.51) BRD4PTGER4FASN
SCHEMBL11909475 0.92 BRD4 (0.57) BRD4PTGER4
SCHEMBL11909477 0.92 BRD4 (0.57) BRD4PTGER4
SCHEMBL22220766 0.91 BRD4 (0.50) BRD4PTGER4FASN
SCHEMBL11908763 0.91 BRD4 (0.50) BRD4PTGER4FASN
SCHEMBL13727 0.91 BRD4 (0.50) BRD4PTGER4FASN

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
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 BRD4 277/4885PTGER4 2567/4885BRD2 520/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC BRD4 2526/4885PTGER4 1647/4885BRD2 3368/4885

“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.