SCHEMBL13097446

SCHEMBL13097446

Cc1c(COc2cccc(N3CCOCC3=O)c2)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 5/20 0.42
F10 P00742 1/20 0.40
NTRK1 P04629 1/20 0.39
GRM5 P41594 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
DHODH Q02127 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NME2 P22392 1/20 0.37
MAPT P10636 2/20 0.37
PRKDC P78527 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PIK3CD O00329 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
SCHEMBL13097462 0.93 DDB1 (0.41) GRM5DDB1CRBNDHODHALDH1A1
SCHEMBL3091096 0.91 MAPT (0.43) MAP4K1F10GRM5DDB1CRBN
SCHEMBL13107152 0.90 MAP4K1 (0.43) MAP4K1F10NTRK1GRM5PIK3CD
SCHEMBL13097170 0.87 FFAR1 (0.42) GRM5DHODHMAPT
SCHEMBL13097461 0.84 DDB1 (0.43) GRM5DDB1CRBNALDH1A1NME2
SCHEMBL13106671 0.83 KCNH2 (0.36) MAP4K1GRM5DDB1CRBNALDH1A1
SCHEMBL13097454 0.82 GRM5 (0.42) F10GRM5MAPTKDM4ELMNA
SCHEMBL13097051 0.81 MCHR1 (0.47) ALDH1A1KDM4EHTT
SCHEMBL13107328 0.81 MAP4K1 (0.40) MAP4K1F10DHODHALDH1A1MAPT
SCHEMBL13097432 0.81 F10 (0.39) F10ALDH1A1MAPTKDM4ELMNA

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 2 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-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 MAP4K1 1854/4885F10 1624/4885NTRK1 3935/4885

“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.