SCHEMBL13097634

SCHEMBL13097634

Cc1c(COC2CCN(C(=O)CC3CCOCC3)CC2)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.45
TLR8 Q9NR97 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
CYP2D6 P10635 3/20 0.44
NAMPT P43490 2/20 0.38
AOC3 Q16853 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
BRD3 Q15059 2/20 0.36
MGLL Q99685 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GALR2 O43603 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 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
SCHEMBL13097633 0.88 MGLL (0.43) TLR9TLR8TLR7CYP2D6ALDH1A1
SCHEMBL13097646 0.87 CYP2D6 (0.56) TLR9TLR8TLR7CYP2D6NAMPT
SCHEMBL13097630 0.85 BRD3 (0.39) TLR9TLR8TLR7ALDH1A1BRD3
SCHEMBL13097608 0.82 GSK3B (0.42) CYP2D6ALDH1A1KDM4ECNR1CNR2
SCHEMBL13097652 0.81 CYP2D6 (0.47) TLR9TLR8TLR7CYP2D6NAMPT
SCHEMBL13097664 0.81 CYP2D6 (0.47) TLR9TLR8TLR7CYP2D6NAMPT
SCHEMBL13097668 0.81 CYP2D6 (0.47) TLR9TLR8TLR7CYP2D6NAMPT
SCHEMBL13097660 0.78 CYP2D6 (0.45) CYP2D6MAPK1ALDH1A1BRD3LMNA
SCHEMBL3106429 0.78 CYP2D6 (0.47) TLR9TLR8TLR7CYP2D6MAPK1
SCHEMBL13097640 0.76 CYP2D6 (0.69) TLR9TLR8TLR7CYP2D6NAMPT

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 4 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

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 TLR9 2198/4885TLR8 1995/4885TLR7 1590/4885

“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.