SCHEMBL17323004

SCHEMBL17323004

CC(=O)N1N=C(c2cc(F)ccc2F)C[C@H]1c1cccc(C)c1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 13/20 0.80
▸ CASP3 P42574 1/20 0.80
▸ KCNH2 Q12809 1/20 0.80
▸ AOC1 P19801 2/20 0.68
▸ MAOB P27338 3/20 0.67
▸ MAOA P21397 1/20 0.63
▸ KDM4E B2RXH2 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ NT5E P21589 1/20 0.56

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
SCHEMBL17151556 0.89 KIF11 (1.00) KIF11CASP3KCNH2AOC1MAOB
SCHEMBL3625650 0.89 KIF11 (1.00) KIF11CASP3KCNH2AOC1MAOB
SCHEMBL3624174 0.89 KIF11 (1.00) KIF11CASP3KCNH2MAOBNT5E
SCHEMBL3624192 0.84 KIF11 (0.78) KIF11CASP3KCNH2MAOBKDM4E
SCHEMBL3846014 0.79 KIF11 (0.78) KIF11CASP3KCNH2AOC1MAOB
SCHEMBL3624136 0.78 KIF11 (0.81) KIF11CASP3KCNH2
SCHEMBL13588202 0.78 KIF11 (0.79) KIF11CASP3KCNH2MAOBNT5E
SCHEMBL3621249 0.78 KIF11 (0.80) KIF11CASP3KCNH2AOC1MAOB
SCHEMBL3616984 0.77 KIF11 (0.79) KIF11CASP3KCNH2MAOBMAOA
SCHEMBL3626735 0.77 KIF11 (1.00) KIF11CASP3KCNH2MAOBNT5E

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-20150352114-A1 MITOTIC KINESIN Eg5 INHIBITING ANTICANCER AGENTS THE CLEVELAND CLINIC FOUNDATION 2015-12-10 — — 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-20150352114-A1 MITOTIC KINESIN Eg5 INHIBITING ANTICANCER AGENTS KIF15, KIF5B, KIF18A KIF11 9/4885CASP3 1487/4885KCNH2 2347/4885

“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.

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