SCHEMBL13097619

SCHEMBL13097619

Cc1c(COc2cccc(N3CCC4(CCCO4)CC3)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.55
KIF11 P52732 7/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL13097626 0.85 CYP2D6 (0.68) CYP2D6KIF11ALDH1A1LMNAMAPT
SCHEMBL13097624 0.85 CYP2D6 (0.64) CYP2D6KIF11ALDH1A1LMNAMAPT
SCHEMBL3098321 0.84 CYP2D6 (0.58) CYP2D6KIF11ALDH1A1LMNAMAPT
SCHEMBL3094907 0.80 CYP2D6 (0.60) CYP2D6KIF11ALDH1A1LMNAMAPT
SCHEMBL13097841 0.79 CYP2D6 (0.57) CYP2D6LMNAMAPT
SCHEMBL13097807 0.78 CYP2D6 (0.60) CYP2D6KIF11LMNAMAPT
SCHEMBL13097690 0.78 CYP2D6 (0.59) CYP2D6ALDH1A1LMNAMAPTKMT2A
SCHEMBL13097784 0.77 CYP2D6 (0.60) CYP2D6ALDH1A1LMNAKMT2A
SCHEMBL13097520 0.77 CYP2D6 (0.59) CYP2D6KIF11ALDH1A1MAPTKMT2A
SCHEMBL3094832 0.76 CYP2D6 (0.61) CYP2D6KIF11LMNAMAPT

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 230/4885KIF11 4708/4885SLC6A2 1834/4885

“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.