SCHEMBL13097673

SCHEMBL13097673

Cc1c(CCc2cc(OCCC(C)(C)O)ccn2)[nH]c2ccccc2c1=O

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.75
MCL1 Q07820 7/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CYP2C9 P11712 1/20 0.36
BCL2 P10415 1/20 0.35
IMPDH2 P12268 1/20 0.35
NOS3 P29474 1/20 0.35
SYK P43405 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL3108568 0.85 CYP2D6 (1.00) CYP2D6MCL1IMPDH2SYKALDH1A1
SCHEMBL3096296 0.82 CYP2D6 (0.79) CYP2D6MCL1HTT
SCHEMBL3099144 0.81 CYP2D6 (0.91) CYP2D6MCL1IMPDH2ALDH1A1MAPT
SCHEMBL13097702 0.79 CYP2D6 (0.73) CYP2D6ALDH1A1MAPTHTT
SCHEMBL13097710 0.78 CYP2D6 (0.71) CYP2D6MCL1USP2ALDH1A1MAPT
SCHEMBL13097656 0.77 CYP2D6 (0.79) CYP2D6MCL1
SCHEMBL13097687 0.76 CYP2D6 (0.70) CYP2D6NOS1NOS2CYP2C9
SCHEMBL13097741 0.75 CYP2D6 (0.64) CYP2D6USP2ALDH1A1MAPTHPGD
SCHEMBL13097689 0.75 CYP2D6 (0.82) CYP2D6IMPDH2ALDH1A1MAPT
SCHEMBL3103496 0.75 CYP2D6 (0.81) CYP2D6MCL1IMPDH2HTT

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 3783/4885NOS1 797/4885

“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.