SCHEMBL6428642

SCHEMBL6428642

NC(=O)CCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DCAF1 Q9Y4B6 3/20 0.40
MAPK1 P28482 13/20 0.39
IDH1 O75874 2/20 0.35
PAK4 O96013 1/20 0.35

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
SCHEMBL5029960 0.92 MAPK1 (0.43) DCAF1MAPK1IDH1
SCHEMBL5030003 0.87 MAPK1 (0.41) DCAF1MAPK1
SCHEMBL6426273 0.87 MAPK1 (0.41) DCAF1MAPK1
SCHEMBL6426733 0.86 LMNA (0.32) MAPK1
SCHEMBL6428486 0.85 SCN9A (0.33) MAPK1
SCHEMBL5030171 0.84 DCAF1 (0.40) DCAF1MAPK1PAK4
SCHEMBL4139328 0.83 TRPA1 (0.32) PAK4
SCHEMBL4139333 0.83 TRPA1 (0.32) PAK4
SCHEMBL13927708 0.81 MAPK1 (0.43) MAPK1IDH1
SCHEMBL5034325 0.81 MAPK1 (0.43) MAPK1IDH1

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-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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 (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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DCAF1 2774/4885MAPK1 6/4885IDH1 1490/4885

“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.