SCHEMBL13097640

SCHEMBL13097640

Cc1c(COc2cccc(OC3CCN(C(=O)CC4CCOCC4)CC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.69
NAMPT P43490 3/20 0.46
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL13097646 0.91 CYP2D6 (0.56) CYP2D6NAMPTTLR9TLR8TLR7
SCHEMBL13097639 0.89 CYP2D6 (0.66) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097975 0.86 CYP2D6 (0.80) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097637 0.86 CYP2D6 (0.60) CYP2D6KDM4EPDE3BPDE3A
SCHEMBL13097580 0.82 CYP2D6 (0.65) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL3101982 0.82 CYP2D6 (1.00) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097897 0.82 CYP2D6 (0.78) CYP2D6TLR9TLR8TLR7KDM4E
SCHEMBL13097591 0.80 CYP2D6 (0.70) CYP2D6KDM4EHTTHSD17B10TSHR
SCHEMBL13097586 0.80 CYP2D6 (0.82) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097139 0.80 NAMPT (0.55) NAMPTKDM4ELMNAMAPTHPGD

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 230/4885NAMPT 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.