SCHEMBL13097609

SCHEMBL13097609

Cc1c(COCCCCCOC2CC2)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GHSR Q92847 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GSK3B P49841 1/20 0.34
MPO P05164 1/20 0.33
LSS P48449 1/20 0.33
KIF11 P52732 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT5 O14744 1/20 0.32

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
SCHEMBL13097539 0.84 CYP2D6 (0.52) CYP2D6KDM4EALDH1A1GLAGAA
SCHEMBL13097523 0.83 CYP2D6 (0.53) CYP2D6KDM4EALDH1A1GLAGAA
SCHEMBL13097477 0.74 CYP2D6 (0.47) CYP2D6KDM4EALDH1A1GLAGAA
SCHEMBL13097510 0.73 CYP2D6 (0.61) CYP2D6KDM4EALDH1A1GLAGAA
SCHEMBL10063269 0.73 KDM4E (0.51) KDM4EALDH1A1GLAGAAHTT
SCHEMBL13097608 0.73 GSK3B (0.42) CYP2D6KDM4EALDH1A1GHSRSMN1; SMN2
SCHEMBL13097473 0.72 GHSR (0.42) CYP2D6KDM4EALDH1A1GLAGAA
SCHEMBL13097630 0.72 BRD3 (0.39) ALDH1A1SMN1; SMN2LMNA
SCHEMBL13097633 0.71 MGLL (0.43) CYP2D6KDM4EALDH1A1LMNA
SCHEMBL13097496 0.71 CYP2D6 (0.64) CYP2D6KDM4EALDH1A1GAAHTT

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 230/4885KDM4E 1769/4885ALDH1A1 524/4885

“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.