SCHEMBL13097501

SCHEMBL13097501

Cc1c(COCCCCOCC2CC2)[nH]c2ccccc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.56
HTT P42858 2/20 0.40
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
MAOA P21397 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC2A1 P11166 2/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL13097512 0.89 CYP2D6 (0.51) CYP2D6HTTHPGDLMNASMN1; SMN2
SCHEMBL13097523 0.87 CYP2D6 (0.53) CYP2D6HTTHPGDLMNASMN1; SMN2
SCHEMBL13097539 0.86 CYP2D6 (0.52) CYP2D6HTTHPGDLMNASMN1; SMN2
SCHEMBL13097506 0.84 CYP2D6 (0.55) CYP2D6HTTHPGDLMNASMN1; SMN2
SCHEMBL13097496 0.84 CYP2D6 (0.64) CYP2D6HTTHPGDLMNAKDM4E
SCHEMBL13097508 0.83 CYP2D6 (0.66) CYP2D6HTT
SCHEMBL13097582 0.83 CYP2D6 (0.54) CYP2D6HTTHPGDLMNASMN1; SMN2
SCHEMBL13097516 0.82 CYP2D6 (0.53) CYP2D6HTTHPGDLMNASMN1; SMN2
SCHEMBL13097524 0.82 CYP2D6 (0.53) CYP2D6HTTHPGDLMNASMN1; SMN2
SCHEMBL13097555 0.81 CYP2D6 (0.67) CYP2D6HTTHPGDLMNASMN1; SMN2

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 230/4885HTT 4209/4885HPGD 43/4885

“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.