SCHEMBL13097614

SCHEMBL13097614

Cc1c(COc2cccc(OCCN3CCOCC3)c2)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.54
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
PARP1 P09874 1/20 0.45
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPHX2 P34913 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL13097579 0.89 CYP2D6 (0.67) CYP2D6KDM4EALDH1A1ADORA2AADORA1
SCHEMBL13097843 0.82 CYP2D6 (0.50) CYP2D6KDM4EALDH1A1HSD17B10HTT
SCHEMBL13097570 0.82 CYP2D6 (0.79) CYP2D6KDM4EALDH1A1HSD17B10HTT
SCHEMBL13097604 0.82 CYP2D6 (0.68) CYP2D6KDM4EALDH1A1HSD17B10HTT
SCHEMBL13097834 0.81 CYP2D6 (0.49) CYP2D6KDM4EALDH1A1HSD17B10HTT
SCHEMBL13097648 0.79 CYP2D6 (0.62) CYP2D6KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL13097645 0.78 CYP2D6 (0.53) CYP2D6KDM4EHSD17B10HTT
SCHEMBL13097659 0.78 CYP2D6 (0.65) CYP2D6KDM4EALDH1A1HTT
SCHEMBL13097646 0.77 CYP2D6 (0.56) CYP2D6KDM4EHSD17B10HTT
SCHEMBL13097649 0.76 CYP2D6 (0.55) CYP2D6KDM4EALDH1A1HTTSMN1; SMN2

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 230/4885KDM4E 1769/4885ALDH1A1 524/4885

“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.