SCHEMBL13097508

SCHEMBL13097508

Cc1c(COCCCCOc2ccccc2)[nH]c2ccccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.66
MCL1 Q07820 7/20 0.46
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41
KCNA3 P22001 1/20 0.40

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
SCHEMBL13349850 0.91 CYP2D6 (0.61) CYP2D6MCL1CTSVCTSLHTT
SCHEMBL13097510 0.91 CYP2D6 (0.61) CYP2D6MCL1CTSVCTSLHTT
SCHEMBL3092224 0.89 CYP2D6 (0.59) CYP2D6MCL1CTSVCTSLHTT
SCHEMBL13097503 0.88 CYP2D6 (0.58) CYP2D6
SCHEMBL3094863 0.87 CYP2D6 (0.57) CYP2D6MCL1CTSVCTSL
SCHEMBL13097506 0.86 CYP2D6 (0.55) CYP2D6HTT
SCHEMBL3103629 0.86 CYP2D6 (0.61) CYP2D6MCL1CTSVCTSLHTT
SCHEMBL13097496 0.86 CYP2D6 (0.64) CYP2D6CTSVCTSLHTT
SCHEMBL13097582 0.85 CYP2D6 (0.54) CYP2D6HTTMAPT
SCHEMBL13097516 0.84 CYP2D6 (0.53) CYP2D6HTTMAPT

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 230/4885MCL1 3783/4885CTSV 1341/4885

“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.