SCHEMBL262836

SCHEMBL262836

O=C(O)c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)c(OCc3ccccc3)c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 1/20 0.51
GSK3B P49841 12/20 0.47
KDM4E B2RXH2 2/20 0.46
SGMS2 Q8NHU3 1/20 0.39
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL1243855 0.86 FOXO1 (0.51) FOXO1GSK3BKDM4ESGMS2MAOB
SCHEMBL263816 0.82 FOXO1 (0.60) FOXO1GSK3BKDM4EKCNH2HRH3
SCHEMBL262257 0.74 KDM4E (0.58) FOXO1GSK3BKDM4EALDH1A1GAA
SCHEMBL1242709 0.70 FOXO1 (0.83) FOXO1GSK3BKDM4EALDH1A1GAA
SCHEMBL584832 0.70 GSK3B (0.61) GSK3BKDM4EKCNH2ALDH1A1HPGD
SCHEMBL9268553 0.69 MAOB (0.41) GSK3BKDM4EMAOBALDH1A1HPGD
SCHEMBL265596 0.69 FOXO1 (0.45) FOXO1GSK3BKDM4EKCNH2HRH3
SCHEMBL31371946 0.68 MEN1 (0.56) FOXO1GSK3BKDM4EALDH1A1GAA
SCHEMBL17387391 0.68 MEN1 (0.56) FOXO1GSK3BKDM4EALDH1A1GAA
SCHEMBL262124 0.68 MEN1 (0.42) FOXO1GSK3BKDM4EHRH3ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 FOXO1 1911/4885GSK3B 3311/4885KDM4E 3062/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 FOXO1 2136/4885GSK3B 3285/4885KDM4E 3128/4885

“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.