SCHEMBL13097591

SCHEMBL13097591

Cc1c(COc2cccc(NC(=O)CC3CCOCC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.70
EPHX2 P34913 1/20 0.47
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPK10 P53779 1/20 0.41
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ACKR3 P25106 1/20 0.40
HTT P42858 1/20 0.39
AKT1 P31749 1/20 0.39
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3101982 0.83 CYP2D6 (1.00) CYP2D6HSD17B10KDM4EHTT
SCHEMBL13097586 0.81 CYP2D6 (0.82) CYP2D6HSD17B10KDM4EHTTNPC1
SCHEMBL13097603 0.81 CYP2D6 (0.81) CYP2D6HSD17B10KDM4EHTTNPC1
SCHEMBL13097640 0.80 CYP2D6 (0.69) CYP2D6HSD17B10KDM4ETSHRHTT
SCHEMBL13097975 0.80 CYP2D6 (0.80) CYP2D6HSD17B10KDM4EHTT
SCHEMBL13097885 0.79 CYP2D6 (0.75) CYP2D6HSD17B10KDM4ETSHRHTT
SCHEMBL13097589 0.79 CYP2D6 (0.84) CYP2D6HSD17B10KDM4EHTTNPC1
SCHEMBL13097553 0.78 CYP2D6 (0.62) CYP2D6KMT2AHSD17B10KDM4ETSHR
SCHEMBL13097952 0.78 CYP2D6 (0.74) CYP2D6HSD17B10KDM4EHTT
SCHEMBL13097590 0.78 CYP2D6 (0.86) CYP2D6HSD17B10KDM4EHTT

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 230/4885EPHX2 640/4885KMT2A 1299/4885

“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.