SCHEMBL13097182

SCHEMBL13097182

Cc1c(COc2cccc(OCCCC(C)(C)O)c2)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.41
MAOB P27338 4/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
PPARG P37231 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL13097150 0.95 DHODH (0.41) DHODHMAOBPDK1PDK2PDK3
SCHEMBL13106282 0.90 CYSLTR2 (0.39) DHODHMAOBPPARGCYP2D6
SCHEMBL13097158 0.90 DHODH (0.42) DHODHMAOBPDK1PDK2PDK3
SCHEMBL13097181 0.90 MAOB (0.40) MAOBCYP2D6
SCHEMBL13107297 0.86 CYSLTR2 (0.39) DHODHMAOBPPARGCYP2D6
SCHEMBL13097106 0.85 MAOB (0.41) MAOBPDK1PDK2PDK3PDK4
SCHEMBL13097444 0.82 MAOB (0.53) DHODHMAOBPPARG
SCHEMBL13106532 0.82 CYSLTR2 (0.38) DHODHMAOBPPARGCYP2D6
SCHEMBL13096824 0.81 CYP2D6 (0.49) MAOBKMT2ACYP2D6
SCHEMBL13106279 0.81 CYSLTR1 (0.47) DHODHKMT2ACYP2D6

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 2 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-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 DHODH 294/4885MAOB 200/4885PDK1 568/4885

“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.