SCHEMBL3138685

SCHEMBL3138685

COc1c(F)c(F)c(C)c2c(=O)cc(C(=O)O)n(C3CC3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.35
TOP2B Q02880 4/20 0.35
NOTUM Q6P988 1/20 0.35
SCN5A Q14524 1/20 0.32
KCNH2 Q12809 4/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
PRKD3 O94806 1/20 0.32
ALOX15 P16050 1/20 0.32
OPRM1 P35372 1/20 0.32
CLK2 P49760 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GSK3B P49841 2/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL4305779 0.80 TOP2A (0.42) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL9428229 0.77 TOP2A (0.40) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL27741279 0.76 TOP2A (0.37) TOP2ATOP2BNOTUMKCNH2ALDH1A1
SCHEMBL3129868 0.76 CYP11B2 (0.39) TOP2ATOP2BNOTUMSCN5AKCNH2
SCHEMBL3136241 0.73 TOP2A (0.47) TOP2ATOP2BNOTUMSCN5AKCNH2
SCHEMBL3808002 0.72 GSK3B (0.53) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL6693955 0.72 ALDH1A1 (0.32) KDM4EALDH1A1KMT2A
SCHEMBL8741056 0.72 TOP2A (0.40) TOP2ATOP2BNOTUMKCNH2POLB
SCHEMBL9688753 0.71 TOP2A (0.34) TOP2ATOP2BNOTUMKCNH2ALDH1A1
Fluoride SCHEMBL5146004 0.70 GSK3B (0.51) TOP2ATOP2BKCNH2KDM4EALDH1A1

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
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 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-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 TOP2A 389/4885TOP2B 359/4885NOTUM 4252/4885

“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.