SCHEMBL13097596

SCHEMBL13097596

Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(-c3cncnc3)cc2c1=O

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.85
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
GSK3B P49841 4/20 0.38
KCNH2 Q12809 3/20 0.38
AKT1 P31749 3/20 0.37
XDH P47989 1/20 0.36
SLC2A1 P11166 1/20 0.35
ROCK2 O75116 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 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
SCHEMBL13097583 0.92 CYP2D6 (1.00) CYP2D6PRMT5WDR77GSK3BKCNH2
SCHEMBL13097573 0.86 CYP2D6 (0.82) CYP2D6SLC2A1NOS3NOS1NOS2
SCHEMBL13097571 0.84 CYP2D6 (0.79) CYP2D6NOS3NOS1NOS2
SCHEMBL13097574 0.84 CYP2D6 (0.79) CYP2D6SLC2A1
SCHEMBL13097576 0.84 CYP2D6 (0.79) CYP2D6NOS3NOS1NOS2
SCHEMBL13097570 0.84 CYP2D6 (0.79) CYP2D6NOS3NOS1NOS2
SCHEMBL3101982 0.84 CYP2D6 (1.00) CYP2D6SLC2A1NOS3NOS1NOS2
SCHEMBL3103270 0.82 CYP2D6 (0.70) CYP2D6GSK3B
SCHEMBL13097967 0.82 CYP2D6 (0.75) CYP2D6SLC2A1
SCHEMBL13097622 0.82 CYP2D6 (0.84) CYP2D6PRMT5WDR77XDH

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 230/4885PRMT5 2004/4885WDR77 2768/4885

“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.