SCHEMBL13097587

SCHEMBL13097587

Cc1c(COc2cccc(OCCN3CCCC3=O)c2)[nH]c2ccccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.66
POLB P06746 1/20 0.51
CD274 Q9NZQ7 1/20 0.42
PDK2 Q15119 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL13097969 0.97 CYP2D6 (0.64) CYP2D6POLBCD274PDK2MEN1
SCHEMBL13097784 0.83 CYP2D6 (0.60) CYP2D6MEN1KMT2AALDH1A1LMNA
SCHEMBL13097579 0.82 CYP2D6 (0.67) CYP2D6KDM4EALDH1A1
SCHEMBL13097787 0.81 CYP2D6 (0.59) CYP2D6KMT2AKDM4EALDH1A1HPGD
SCHEMBL13097795 0.80 CYP2D6 (0.58) CYP2D6KMT2AKDM4EALDH1A1HPGD
SCHEMBL13097528 0.80 CYP2D6 (1.00) CYP2D6KDM4EALDH1A1
SCHEMBL13097624 0.78 CYP2D6 (0.64) CYP2D6MEN1KMT2AALDH1A1LMNA
SCHEMBL13097572 0.77 CYP2D6 (0.75) CYP2D6
SCHEMBL13097972 0.77 CYP2D6 (0.68) CYP2D6POLBMEN1KMT2AKDM4E
SCHEMBL13097686 0.77 CYP2D6 (0.68) CYP2D6POLBMEN1KMT2AKDM4E

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 230/4885POLB 1824/4885CD274 4374/4885

“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.