SCHEMBL13096876

SCHEMBL13096876

OCCCCOc1cc(C(F)(F)F)ncn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CHKA P35790 1/20 0.42
PDK2 Q15119 6/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
LOX P28300 2/20 0.32
AOC3 Q16853 1/20 0.32
SYK P43405 1/20 0.31
RAF1 P04049 1/20 0.31
LOXL2 Q9Y4K0 2/20 0.31
ELOVL1 Q9BW60 1/20 0.31
PIM1 P11309 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL13096878 0.78 CA2 (0.40) CA2CHKAALOX5APFEN1ELOVL1
SCHEMBL9256967 0.74 P2RX7 (0.39) PDK2SYK
SCHEMBL13096892 0.74 ELOVL1 (0.47) CA2CHKAELOVL1
SCHEMBL23361197 0.73 PKM (0.50) CA2CHKA
SCHEMBL29728885 0.71 CA2 (0.43) CA2CHKAALOX5APFEN1LOX
SCHEMBL27264896 0.69 CA2 (0.68) CA2CHKALOXLOXL2
SCHEMBL28788509 0.68 KDM4E (0.45)
SCHEMBL4693115 0.67 CA2 (0.39) CA2CHKAALOX5APFEN1RAF1
SCHEMBL24637811 0.67 CA2 (0.46) CA2CHKAALOX5APFEN1LOXL2
SCHEMBL4625435 0.67 MRGPRX4 (0.49)

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 5 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
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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 2317/4885PDK2 507/4885

“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.