SCHEMBL13097648

SCHEMBL13097648

Cc1c(COc2cccc(OCCC(C)(C)O)c2)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.62
MAOB P27338 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
DHODH Q02127 3/20 0.36
CTSV O60911 1/20 0.36
CTSL P07711 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRA6 Q16445 1/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 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
SCHEMBL13097659 0.95 CYP2D6 (0.65) CYP2D6MAOBKDM4EALDH1A1GLA
SCHEMBL13097649 0.90 CYP2D6 (0.55) CYP2D6MAOBKDM4EALDH1A1GLA
SCHEMBL3096296 0.88 CYP2D6 (0.79) CYP2D6HTTCTSVCTSLMCL1
SCHEMBL13097656 0.83 CYP2D6 (0.79) CYP2D6CTSVCTSLMCL1
SCHEMBL13097710 0.80 CYP2D6 (0.71) CYP2D6ALDH1A1HTTCTSVCTSL
SCHEMBL13097702 0.79 CYP2D6 (0.73) CYP2D6KDM4EALDH1A1HTTCTSV
SCHEMBL13097614 0.79 CYP2D6 (0.54) CYP2D6KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL13097535 0.77 CYP2D6 (1.00) CYP2D6ALDH1A1HTTCTSVCTSL
SCHEMBL13097604 0.77 CYP2D6 (0.68) CYP2D6MAOBKDM4EALDH1A1HTT
SCHEMBL13097570 0.76 CYP2D6 (0.79) CYP2D6MAOBKDM4EALDH1A1GLA

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 4 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

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 230/4885MAOB 200/4885KDM4E 1769/4885

“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.