SCHEMBL13097259

SCHEMBL13097259

O=C1COCCN1c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.49
PTGS2 P35354 4/20 0.46
PIK3CD O00329 4/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CG P48736 2/20 0.46
PIK3CB P42338 1/20 0.46
MAP4K1 Q92918 5/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL13097460 0.86 ALDH1A1 (0.46) PIK3CAMEN1KMT2ANPC1RAB9A
SCHEMBL29740650 0.83 PIK3CD (0.49) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL20124865 0.83 PIK3CD (0.49) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL20502398 0.81 ALDH1A1 (0.48) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL2940366 0.81 MAP4K1 (0.50) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL1438679 0.81 PIK3CD (0.46) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL10272402 0.81 ALDH1A1 (0.52) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL17202841 0.81 ALDH1A1 (0.65) F10MEN1KMT2ANPC1RAB9A
SCHEMBL670900 0.81 MAP4K1 (0.50) F10PTGS2PIK3CDPIK3CAPIK3CG
SCHEMBL19086541 0.80 PTGS2 (0.64) F10PTGS2

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 F10 1624/4885PTGS2 678/4885PIK3CD 704/4885

“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.