SCHEMBL13097664

SCHEMBL13097664

Cc1c(COc2ccc3c(c2)CN(C(=O)CC2CCOCC2)CC3)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.47
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
RORC P51449 1/20 0.38
F10 P00742 4/20 0.38
PLG P00747 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HTT P42858 1/20 0.37
PDE3B Q13370 1/20 0.37

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
SCHEMBL13097652 0.97 CYP2D6 (0.47) CYP2D6ALDH1A1GAARORCMAPT
SCHEMBL13097666 0.90 CYP2D6 (0.45) CYP2D6ALDH1A1GAARORCF10
SCHEMBL13097668 0.88 CYP2D6 (0.47) CYP2D6ALDH1A1GAARORCMAPT
SCHEMBL13097669 0.87 CYP2D6 (0.45) CYP2D6ALDH1A1GAARORCMAPT
SCHEMBL3106429 0.85 CYP2D6 (0.47) CYP2D6ALDH1A1GAARORCMAPT
SCHEMBL13097646 0.83 CYP2D6 (0.56) CYP2D6RORCMAPTHPGDKDM4E
SCHEMBL13097634 0.81 TLR9 (0.45) CYP2D6ALDH1A1GAAMAPTHPGD
SCHEMBL13097667 0.77 CYP2D6 (0.44) CYP2D6ALDH1A1GAAMAPTKDM4E
SCHEMBL13097662 0.77 CYP2D6 (0.44) CYP2D6ALDH1A1MAPTHPGDKDM4E
SCHEMBL13107117 0.77 RORC (0.37) ALDH1A1RORCF10PLGPRSS1

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 230/4885ALDH1A1 524/4885GAA 468/4885

“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.