SCHEMBL13097841

SCHEMBL13097841

Cc1c(COc2cccc(N3CCOC(C)(C)C3=O)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.57
PIK3CD O00329 6/20 0.41
PIK3CA P42336 3/20 0.38
PIK3CG P48736 3/20 0.38
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL13097807 0.85 CYP2D6 (0.60) CYP2D6CTSVCTSLDDB1CRBN
SCHEMBL3094832 0.83 CYP2D6 (0.61) CYP2D6CTSVCTSLDDB1CRBN
SCHEMBL13097842 0.83 CYP2D6 (0.62) CYP2D6CTSVCTSLDDB1CRBN
SCHEMBL13097626 0.81 CYP2D6 (0.68) CYP2D6KDM4ELMNAMAPTHPGD
SCHEMBL13097784 0.80 CYP2D6 (0.60) CYP2D6CTSVCTSLLMNAHPGD
SCHEMBL13097787 0.79 CYP2D6 (0.59) CYP2D6CTSVCTSLKDM4EHPGD
SCHEMBL13097624 0.79 CYP2D6 (0.64) CYP2D6CTSVCTSLLMNAMAPT
SCHEMBL13097619 0.79 CYP2D6 (0.55) CYP2D6LMNAMAPT
SCHEMBL3098321 0.79 CYP2D6 (0.58) CYP2D6CTSVCTSLLMNAMAPT
SCHEMBL13097795 0.79 CYP2D6 (0.58) CYP2D6CTSVCTSLKDM4EHPGD

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 230/4885PIK3CD 704/4885PIK3CA 681/4885

“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.