SCHEMBL14844

SCHEMBL14844

CNC(=O)c1cccc2nc(-c3ccc(-c4ccccc4)cc3)n(C[C@@H]3CCN(C(=O)C4CC4)C3)c12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.44
BRD4 O60885 10/20 0.44
DHODH Q02127 1/20 0.41
BRD2 P25440 1/20 0.41
EP300 Q09472 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41

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
SCHEMBL22220894 1.00 FASN (0.44) FASNBRD4DHODHBRD2EP300
SCHEMBL22220765 0.93 FASN (0.44) FASNBRD4
SCHEMBL10520 0.93 FASN (0.44) FASNBRD4
SCHEMBL10519 0.93 FASN (0.44) FASNBRD4
SCHEMBL22220917 0.93 FASN (0.46) FASNBRD4
SCHEMBL10524 0.93 FASN (0.46) FASNBRD4
SCHEMBL10523 0.93 FASN (0.46) FASNBRD4
SCHEMBL22220932 0.92 FASN (0.42) FASNBRD4
SCHEMBL14842 0.92 FASN (0.42) FASNBRD4
SCHEMBL11909831 0.92 FASN (0.42) FASNBRD4

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 4 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-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

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 FASN 1/4885BRD4 277/4885DHODH 212/4885
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC FASN 2790/4885BRD4 2526/4885DHODH 723/4885

“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.