SCHEMBL4520128

SCHEMBL4520128

O=C(O)C1CCC(c2cc(F)ccc2F)=N1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.43
CASP3 P42574 1/20 0.38
KCNH2 Q12809 1/20 0.38
DHODH Q02127 1/20 0.37
ABL1 P00519 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 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
SCHEMBL4520126 1.00 KIF11 (0.43) KIF11CASP3KCNH2DHODHABL1
SCHEMBL4515003 0.88 KMO (0.40) ALDH1A1
SCHEMBL4515010 0.88 KMO (0.40) ALDH1A1
SCHEMBL4507568 0.83 CYP11B1 (0.33)
SCHEMBL4507563 0.83 CYP11B1 (0.33)
SCHEMBL4510426 0.81 CES2 (0.33) KIF11
SCHEMBL4510422 0.81 CES2 (0.33) KIF11
SCHEMBL2585115 0.80 ALDH1A1 (0.44) KIF11CASP3KCNH2ALDH1A1
SCHEMBL5885783 0.78 POLB (0.49) ALDH1A1
SCHEMBL4508760 0.77 CHRNB4 (0.44)

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
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 KIF11 4584/4885CASP3 2596/4885KCNH2 2785/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 KIF11 4584/4885CASP3 2596/4885KCNH2 2785/4885

“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.