SCHEMBL13096878

SCHEMBL13096878

O=CCCCOc1cc(C(F)(F)F)ncn1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
CHKA P35790 1/20 0.40
ELOVL1 Q9BW60 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL29728885 0.82 CA2 (0.43) CA2CHKAALOX5APFEN1
SCHEMBL13096876 0.78 CA2 (0.42) CA2CHKAELOVL1ALOX5APFEN1
SCHEMBL13107248 0.74 CA2 (0.39) CA2CHKAELOVL1ALOX5APFEN1
SCHEMBL23361197 0.71 PKM (0.50) CA2CHKA
SCHEMBL3091177 0.70 TDP1 (0.38) CA2CHKA
SCHEMBL28788509 0.69 KDM4E (0.45)
SCHEMBL13096892 0.69 ELOVL1 (0.47) CA2CHKAELOVL1
SCHEMBL4693115 0.68 CA2 (0.39) CA2CHKAALOX5APFEN1
SCHEMBL27264896 0.66 CA2 (0.68) CA2CHKA
SCHEMBL29277456 0.66 SLC6A9 (0.39) CA2CHKAELOVL1ALOX5APFEN1

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
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK CA2 2488/4885CHKA 2317/4885ELOVL1 772/4885

“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.