SCHEMBL13097590

SCHEMBL13097590

Cc1c(COc2ccc(OCC3CCOCC3)cc2)[nH]c2ccccc2c1=O

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.86
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
XDH P47989 1/20 0.39
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
PDE9A O76083 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ACACB O00763 1/20 0.36
PDE2A O00408 1/20 0.36
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35

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 0.93 CYP2D6 (1.00) CYP2D6CTSVCTSLBRD4PDE9A
SCHEMBL13097559 0.92 CYP2D6 (0.87) CYP2D6CTSVCTSLXDHBRD4
SCHEMBL13097890 0.91 CYP2D6 (0.82) CYP2D6CTSVCTSLXDHBRD4
SCHEMBL13097564 0.91 CYP2D6 (0.85) CYP2D6CTSVCTSLXDHBRD4
SCHEMBL13097563 0.91 CYP2D6 (0.85) CYP2D6CTSVCTSLBRD4L3MBTL1
SCHEMBL13097622 0.90 CYP2D6 (0.84) CYP2D6CTSVCTSLXDHBRD4
SCHEMBL13349902 0.90 CYP2D6 (0.84) CYP2D6CTSVCTSLXDHBRD4
SCHEMBL13097594 0.90 CYP2D6 (0.84) CYP2D6CTSVCTSLXDHBRD4
SCHEMBL13097739 0.88 CYP2D6 (0.68) CYP2D6CTSVCTSLL3MBTL1PDE9A
SCHEMBL13097569 0.88 CYP2D6 (0.80) CYP2D6BRD4PDE9AKDM4ELMNA

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 230/4885CTSV 1341/4885CTSL 1938/4885

“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.