SCHEMBL6515882

SCHEMBL6515882

CCC(NCCN(C)C(=O)O)c1nc(C(F)(F)F)c(Br)c(=O)n1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.38
EGLN1 Q9GZT9 2/20 0.34
PIK3CD O00329 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL5821050 0.86 KIF11 (0.42) KIF11PIK3CDHDAC1HDAC6MAPT
SCHEMBL5764538 0.77 HPGD (0.39) KIF11MAPT
SCHEMBL5821082 0.73 KIF11 (0.55) KIF11
SCHEMBL12454692 0.71 CACNA2D1 (0.48) KIF11MAPT
SCHEMBL5100450 0.71 MEN1 (0.45) KIF11MAPT
SCHEMBL3837879 0.71 MEN1 (0.41) KIF11MAPT
SCHEMBL4069383 0.70 MEN1 (0.40) KIF11PIK3CDHDAC1HDAC6MAPT
SCHEMBL5103886 0.70 KIF11 (0.53) KIF11MAPT
SCHEMBL5354342 0.70 KIF11 (0.41) KIF11
SCHEMBL6518712 0.69 KIF11 (0.54) KIF11

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-20050234080-A1 Mitotic kinesin inhibitors COLEMAN PAUL J 2005-10-20 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-20050234080-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIFC1 KIF11 9/4885EGLN1 3381/4885PIK3CD 512/4885

“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.