SCHEMBL13097520

SCHEMBL13097520

Cc1c(COCCCCOc2cccc(N3CCOCC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.59
KIF11 P52732 4/20 0.48
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
PRKDC P78527 1/20 0.39
MCL1 Q07820 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
SCHEMBL13097626 0.91 CYP2D6 (0.68) CYP2D6KIF11MAPTKDM4EMEN1
SCHEMBL13097508 0.81 CYP2D6 (0.66) CYP2D6MAPTMCL1
SCHEMBL13097624 0.81 CYP2D6 (0.64) CYP2D6KIF11MAPTMEN1ALDH1A1
SCHEMBL13097579 0.80 CYP2D6 (0.67) CYP2D6KDM4EALDH1A1TSHR
SCHEMBL3094907 0.79 CYP2D6 (0.60) CYP2D6KIF11MAPTALDH1A1KMT2A
SCHEMBL13097842 0.79 CYP2D6 (0.62) CYP2D6KIF11MAPTKDM4EALDH1A1
SCHEMBL3098365 0.78 CYP2D6 (0.62) CYP2D6KIF11MAPTKDM4EMEN1
SCHEMBL3094832 0.78 CYP2D6 (0.61) CYP2D6KIF11MAPTKDM4EHPGD
SCHEMBL13097603 0.78 CYP2D6 (0.81) CYP2D6MAPTKDM4EHPGDHSD17B10
SCHEMBL13097623 0.78 CYP2D6 (0.57) CYP2D6KIF11MAPTALDH1A1KMT2A

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 230/4885KIF11 4708/4885MAPT 4661/4885

“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.