SCHEMBL3106330

SCHEMBL3106330

Cc1c(CCCCOCc2ccccc2)[nH]c2ccccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.50
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 2/20 0.41
CAPN1 P07384 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL13097468 0.84 CYP2D6 (0.48) CYP2D6SMN1; SMN2HSD17B10HTTALDH1A1
SCHEMBL14574432 0.83 CYP2D6 (0.51) CYP2D6CTSVCTSLSMN1; SMN2HSD17B10
SCHEMBL3103629 0.82 CYP2D6 (0.61) CYP2D6CTSVCTSLHTTMCL1
SCHEMBL13097508 0.81 CYP2D6 (0.66) CYP2D6CTSVCTSLHTTMCL1
SCHEMBL13097477 0.81 CYP2D6 (0.47) CYP2D6CTSVCTSLSMN1; SMN2HSD17B10
SCHEMBL13097496 0.80 CYP2D6 (0.64) CYP2D6CTSVCTSLHSD17B10HTT
SCHEMBL13097506 0.80 CYP2D6 (0.55) CYP2D6TDP1SMN1; SMN2HTTALDH1A1
SCHEMBL13097582 0.79 CYP2D6 (0.54) CYP2D6SMN1; SMN2HSD17B10HTTALDH1A1
SCHEMBL8537338 0.79 CYP2D6 (0.66) CYP2D6CTSVCTSLSMN1; SMN2HSD17B10
SCHEMBL13097523 0.78 CYP2D6 (0.53) CYP2D6SMN1; SMN2HSD17B10HTTALDH1A1

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 8 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-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
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
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 230/4885CTSV 1341/4885CTSL 1938/4885

“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.