SCHEMBL13097142

SCHEMBL13097142

CC(=O)N1CCC(Oc2cccc(OCc3nc4ccc(F)cc4c(OCc4ccccc4)c3C)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
PRMT5 O14744 2/20 0.42
F10 P00742 1/20 0.40
DHODH Q02127 1/20 0.40
ACSL1 P33121 1/20 0.39
CHRM4 P08173 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
EGFR P00533 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NEK2 P51955 1/20 0.38
PLK1 P53350 1/20 0.38
CPT1A P50416 1/20 0.38
SPHK2 Q9NRA0 2/20 0.38
ACACB O00763 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
PPARG P37231 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
SCHEMBL13097135 0.91 PRMT5 (0.44) PRMT5F10ACSL1KDM4EALDH1A1
SCHEMBL13106525 0.90 CHRM4 (0.40) FAAHCHRM4EGFRHRH3CPT1A
SCHEMBL13097143 0.89 HRH3 (0.44) FAAHF10DHODHACSL1CHRM4
SCHEMBL13097144 0.88 RORC (0.43) FAAHDHODHKDM4EALDH1A1LMNA
SCHEMBL13097148 0.86 KDM4E (0.49) DHODHKDM4EALDH1A1LMNAMAPT
SCHEMBL13349786 0.82 HRH3 (0.41) PRMT5DHODHHRH3
SCHEMBL13096966 0.81 ACP1 (0.43) PRMT5F10KDM4EALDH1A1LMNA
SCHEMBL13097133 0.81 ALDH1A1 (0.53) PRMT5KDM4EALDH1A1LMNAMAPT
SCHEMBL13097138 0.80 KDM4E (0.43) ACSL1KDM4EALDH1A1LMNAMAPT
SCHEMBL13106654 0.80 HRH3 (0.45) CHRM4MAPTHRH3

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 FAAH 890/4885PRMT5 2004/4885F10 1624/4885

“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.