SCHEMBL11909595

SCHEMBL11909595

O=C(C1CC1)N1CC[C@H](Cn2c(-c3ccc(-c4ccc5ncsc5c4)cc3)nc3cc(C(F)(F)F)ccc32)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FASN P49327 7/20 0.48
PFKFB3 Q16875 1/20 0.45
PIK3CD O00329 1/20 0.42
P2RX3 P56373 2/20 0.41
BRD4 O60885 8/20 0.41
DYRK2 Q92630 1/20 0.39

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
SCHEMBL11909593 1.00 FASN (0.48) FASNPFKFB3PIK3CDP2RX3BRD4
SCHEMBL11920986 0.89 FASN (0.50) FASNPFKFB3P2RX3BRD4
SCHEMBL10000 0.87 BRD4 (0.53) FASNPFKFB3BRD4
SCHEMBL22220896 0.87 BRD4 (0.53) FASNPFKFB3BRD4
SCHEMBL9999 0.87 BRD4 (0.53) FASNPFKFB3BRD4
SCHEMBL11011 0.86 KDM4E (0.49) FASNPIK3CDP2RX3BRD4
SCHEMBL22220882 0.86 KDM4E (0.49) FASNPIK3CDP2RX3BRD4
SCHEMBL22220920 0.86 BRD4 (0.49) FASNPIK3CDP2RX3BRD4
SCHEMBL10940 0.86 BRD4 (0.49) FASNPIK3CDP2RX3BRD4
SCHEMBL11010 0.86 KDM4E (0.49) FASNPIK3CDP2RX3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 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 (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 1/4885PFKFB3 262/4885PIK3CD 2623/4885

“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.