SCHEMBL13097809

SCHEMBL13097809

COc1cc(OCc2[nH]c3ccccc3c(=O)c2C)cc(N2CCOCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.54
F10 P00742 6/20 0.39
KIF11 P52732 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL13097837 0.92 CYP2D6 (0.53) CYP2D6F10KIF11KDM4ELMNA
SCHEMBL3094832 0.89 CYP2D6 (0.61) CYP2D6F10KIF11KDM4ELMNA
SCHEMBL13097842 0.81 CYP2D6 (0.62) CYP2D6KIF11KDM4ELMNAMAPT
SCHEMBL13097834 0.79 CYP2D6 (0.49) CYP2D6KIF11KDM4ELMNAMAPT
SCHEMBL13097563 0.79 CYP2D6 (0.85) CYP2D6L3MBTL1ABCG2
SCHEMBL13097626 0.77 CYP2D6 (0.68) CYP2D6KIF11L3MBTL1KDM4ELMNA
SCHEMBL13097807 0.76 CYP2D6 (0.60) CYP2D6KIF11KDM4ELMNAMAPT
SCHEMBL13097579 0.75 CYP2D6 (0.67) CYP2D6KDM4EHTT
SCHEMBL13097784 0.74 CYP2D6 (0.60) CYP2D6LMNAHPGDHTTHSD17B10
SCHEMBL3098365 0.74 CYP2D6 (0.62) CYP2D6KIF11L3MBTL1KDM4ELMNA

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 CYP2D6 230/4885F10 1624/4885KIF11 4708/4885

“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.