SCHEMBL13097652

SCHEMBL13097652

Cc1c(COc2ccc3c(c2)CCN(C(=O)CC2CCOCC2)C3)[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 2/20 0.40
GAA P10253 1/20 0.40
NAMPT P43490 2/20 0.38
RORC P51449 1/20 0.38
MOGAT2 Q3SYC2 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 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
PDE3A Q14432 1/20 0.37
CHRM4 P08173 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL13097664 0.97 CYP2D6 (0.47) CYP2D6ALDH1A1GAANAMPTRORC
SCHEMBL13097669 0.90 CYP2D6 (0.45) CYP2D6ALDH1A1GAARORCKDM4E
SCHEMBL13097668 0.88 CYP2D6 (0.47) CYP2D6ALDH1A1GAANAMPTRORC
SCHEMBL13097666 0.87 CYP2D6 (0.45) CYP2D6ALDH1A1GAARORCKDM4E
SCHEMBL3106429 0.85 CYP2D6 (0.47) CYP2D6ALDH1A1GAARORCKDM4E
SCHEMBL13097646 0.83 CYP2D6 (0.56) CYP2D6NAMPTRORCKDM4ELMNA
SCHEMBL13097634 0.81 TLR9 (0.45) CYP2D6ALDH1A1GAANAMPTKDM4E
SCHEMBL13097667 0.77 CYP2D6 (0.44) CYP2D6ALDH1A1GAAKDM4EMAPT
SCHEMBL13097662 0.77 CYP2D6 (0.44) CYP2D6ALDH1A1KDM4ELMNAMAPT
SCHEMBL13107111 0.77 CHRM4 (0.38) ALDH1A1NAMPTRORCMOGAT2CHRM4

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.