SCHEMBL11719

SCHEMBL11719

COc1cccc2c1nc(-c1ccc(-c3ccc4[nH]ccc4c3)cc1)n2C[C@H]1CCN(C(=O)C2CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FASN P49327 12/20 0.62
PIK3CD O00329 2/20 0.42
ACACB O00763 3/20 0.41
ACACA Q13085 3/20 0.41
BRD4 O60885 2/20 0.40

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
SCHEMBL22220754 1.00 FASN (0.62) FASNPIK3CDACACBACACABRD4
SCHEMBL10424 1.00 FASN (0.62) FASNPIK3CDACACBACACABRD4
SCHEMBL11909742 0.95 FASN (0.55) FASNPIK3CDBRD4
SCHEMBL22220869 0.95 FASN (0.55) FASNPIK3CDBRD4
SCHEMBL14205 0.95 FASN (0.55) FASNPIK3CDBRD4
SCHEMBL22220906 0.91 FASN (0.66) FASNPIK3CDACACBACACABRD4
SCHEMBL10202 0.91 FASN (0.66) FASNPIK3CDACACBACACABRD4
SCHEMBL10201 0.91 FASN (0.66) FASNPIK3CDACACBACACABRD4
SCHEMBL22220895 0.89 FASN (0.60) FASNPIK3CDACACBACACABRD4
SCHEMBL10926 0.89 FASN (0.60) FASNPIK3CDACACBACACABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 FASN 1/4885PIK3CD 2623/4885ACACB 32/4885

“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.