SCHEMBL13097490

SCHEMBL13097490

Cc1c(CNCCCCc2ccccc2)[nH]c2ccccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
CYP2D6 P10635 1/20 0.45
CAPN1 P07384 1/20 0.43

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
SCHEMBL13097494 0.96 CYP2D6 (0.46) SIGMAR1CYP2D6CAPN1
SCHEMBL13097492 0.89 POLB (0.48) CYP2D6CAPN1
SCHEMBL13097485 0.85 CYP2D6 (0.61) CYP2D6
SCHEMBL14574432 0.83 CYP2D6 (0.51) CYP2D6CAPN1
SCHEMBL13097484 0.80 POLB (0.53) CYP2D6CAPN1
SCHEMBL13097556 0.77 L3MBTL1 (0.54) CYP2D6CAPN1
SCHEMBL5270095 0.76 PTGS2 (0.65) CAPN1
SCHEMBL8024152 0.76 CYP2D6 (0.51) CYP2D6CAPN1
SCHEMBL13097929 0.75 CAPN1 (0.46) CYP2D6CAPN1
SCHEMBL3096262 0.75 CAPN1 (0.48) CYP2D6CAPN1

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 SIGMAR1 3341/4885CYP2D6 230/4885CAPN1 4606/4885

“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.