SCHEMBL2012322

SCHEMBL2012322

Cc1cc(-c2ccc(C=O)cc2)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.54
CYP2A6 P11509 1/20 0.45
DAPK3 O43293 1/20 0.44
NTRK1 P04629 1/20 0.44
PIM1 P11309 1/20 0.44
FLT3 P36888 1/20 0.44
GSK3B P49841 1/20 0.44
ROCK1 Q13464 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PTGS2 P35354 4/20 0.42
DRD1 P21728 2/20 0.42
PTGS1 P23219 3/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
HSD17B10 Q99714 1/20 0.40
BRD4 O60885 1/20 0.39
ERN1 O75460 1/20 0.38
TNKS2 Q9H2K2 1/20 0.37
TYR P14679 1/20 0.36

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
SCHEMBL5734344 0.84 TRIM24 (0.50) KIF11DAPK3NTRK1PIM1FLT3
SCHEMBL336067 0.84 ALDH1A1 (0.47) KIF11CYP2A6PTGS2PTGS1HSD17B10
SCHEMBL29642252 0.84 ALDH1A1 (0.47) KIF11CYP2A6PTGS2PTGS1HSD17B10
SCHEMBL3457040 0.82 KIF11 (0.65) KIF11CYP2A6DRD1PTGS1HSD17B10
SCHEMBL3456595 0.82 CYP2A6 (0.50) KIF11CYP2A6DRD1HSD17B10BRD4
SCHEMBL21953737 0.81 DAPK3 (0.44) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL3360913 0.78 CYP2A6 (0.46) KIF11CYP2A6DRD1HSD17B10BRD4
SCHEMBL28930334 0.78 PTGS2 (0.40) DAPK3NTRK1PIM1FLT3GSK3B
SCHEMBL11322374 0.77 CYP2A6 (0.45) KIF11CYP2A6DAPK3DRD1HSD17B10
SCHEMBL4425575 0.77 KIF11 (0.59) KIF11CYP2A6PTGS2DRD1PTGS1

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
US-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-11-22 US disclosed
EP-2503890-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-10-03 EP disclosed
WO-2011066211-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-06-03 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-20120295915-A1 AZABENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, COASY KIF11 4375/4885CYP2A6 456/4885DAPK3 2994/4885

“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.