SCHEMBL3106396

SCHEMBL3106396

Cc1c(COc2cccc(OCCc3ccncc3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.70
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
ACHE P22303 1/20 0.40
SLC2A1 P11166 2/20 0.40
MAOA P21397 1/20 0.40
MCL1 Q07820 3/20 0.39
CYP27B1 O15528 1/20 0.39
CYP24A1 Q07973 1/20 0.39
LTA4H P09960 1/20 0.39
HSD17B10 Q99714 1/20 0.38
PTK6 Q13882 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
SCHEMBL13097598 0.89 CYP2D6 (0.67) CYP2D6CTSVCTSLACHEMAOA
SCHEMBL13097602 0.86 CYP2D6 (0.70) CYP2D6CTSVCTSLMAOAMCL1
SCHEMBL13097528 0.83 CYP2D6 (1.00) CYP2D6CTSVCTSLMCL1
SCHEMBL13097572 0.82 CYP2D6 (0.75) CYP2D6CTSVCTSLACHEMAOA
SCHEMBL3096296 0.79 CYP2D6 (0.79) CYP2D6CTSVCTSLMCL1
SCHEMBL13097533 0.79 CYP2D6 (1.00) CYP2D6CTSVCTSLMAOAMCL1
SCHEMBL13097656 0.78 CYP2D6 (0.79) CYP2D6CTSVCTSLMCL1
SCHEMBL13097535 0.78 CYP2D6 (1.00) CYP2D6CTSVCTSLMCL1
SCHEMBL13097970 0.78 CYP2D6 (0.70) CYP2D6CTSVCTSLMCL1
SCHEMBL13097972 0.76 CYP2D6 (0.68) CYP2D6CTSVCTSLMCL1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US claimed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US claimed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP claimed
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-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
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
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.