SCHEMBL10379899

SCHEMBL10379899

O=C(C1CC1)N1CC[C@@H](Cn2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
FASN P49327 5/20 0.52
ABCC1 P33527 1/20 0.50
BRD4 O60885 11/20 0.48
BRD2 P25440 1/20 0.45
EP300 Q09472 1/20 0.45
BRD3 Q15059 1/20 0.45
BRDT Q58F21 1/20 0.45
MAPK10 P53779 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL10104 0.87 BRD4 (0.59) BRD4BRD2EP300BRD3BRDT
SCHEMBL10103 0.87 BRD4 (0.59) BRD4BRD2EP300BRD3BRDT
SCHEMBL22220911 0.87 FASN (0.53) ALDH1A1CYP1A2GAACYP2C9CYP2C19
SCHEMBL10379581 0.87 FASN (0.53) ALDH1A1CYP1A2GAACYP2C9CYP2C19
SCHEMBL10378718 0.84 FASN (0.67) FASNABCC1BRD4
SCHEMBL22220779 0.84 FASN (0.67) FASNABCC1BRD4
SCHEMBL22220780 0.84 FASN (0.60) FASNBRD4
SCHEMBL22220935 0.84 FASN (0.75) FASNABCC1BRD4
SCHEMBL10378579 0.84 FASN (0.75) FASNABCC1BRD4
SCHEMBL10379907 0.84 FASN (0.60) 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-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 US disclosed
US-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 US disclosed
US-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-11-14 US disclosed
WO-2012096928-A2 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-07-19 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 (1 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-20130303551-A1 PYRIMIDINONE DERIVATIVES AS FATTY ACID SYNTHASE INHIBITORS FASN, FPGS, DHPS ALDH1A1 349/4885CYP1A2 560/4885GAA 1072/4885

“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.