SCHEMBL13097646

SCHEMBL13097646

Cc1c(COc2cccc(OC3CCN(C(=O)CC4CCOCC4)CC3)c2)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.56
NAMPT P43490 3/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MLNR O43193 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RORC P51449 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
SCHEMBL13097640 0.91 CYP2D6 (0.69) CYP2D6NAMPTTLR9TLR8TLR7
SCHEMBL13097645 0.89 CYP2D6 (0.53) CYP2D6TLR9TLR8TLR7PDE3B
SCHEMBL13097644 0.87 CYP2D6 (0.48) CYP2D6PDE3BPDE3AMLNR
SCHEMBL13097634 0.87 TLR9 (0.45) CYP2D6NAMPTTLR9TLR8TLR7
SCHEMBL13097570 0.83 CYP2D6 (0.79) CYP2D6PDE3BPDE3AKDM4ELMNA
SCHEMBL13097652 0.83 CYP2D6 (0.47) CYP2D6NAMPTTLR9TLR8TLR7
SCHEMBL13097664 0.83 CYP2D6 (0.47) CYP2D6NAMPTTLR9TLR8TLR7
SCHEMBL13097668 0.82 CYP2D6 (0.47) CYP2D6NAMPTTLR9TLR8TLR7
SCHEMBL13097639 0.80 CYP2D6 (0.66) CYP2D6PDE3BPDE3AHRH3KDM4E
SCHEMBL13097604 0.80 CYP2D6 (0.68) CYP2D6PDE3BPDE3AKDM4ELMNA

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 CYP2D6 230/4885NAMPT 15/4885TLR9 2198/4885

“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.