SCHEMBL4305779

SCHEMBL4305779

COc1c(F)c(F)cc2c(=O)cc(C(=O)O)n(C3CC3)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
KCNH2 Q12809 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSK3B P49841 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL9428229 0.97 TOP2A (0.40) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL3808229 0.86 TOP2A (0.32) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL3129267 0.86 TOP2A (0.39) TOP2ATOP2B
SCHEMBL4300362 0.86 TOP2A (0.39) TOP2ATOP2BKCNH2
SCHEMBL8096676 0.85 TOP2A (0.47) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL3136241 0.84 TOP2A (0.47) TOP2ATOP2BKCNH2
SCHEMBL10817331 0.81 TOP2A (0.47) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL29219620 0.81 KCNH2 (0.38) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL8540093 0.80 KCNH2 (0.41) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL3138685 0.80 TOP2A (0.35) 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
US-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-29 US disclosed
WO-2009131973-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-10-29 WO 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-20090270379-A1 QUINOLONE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS NQO2, QARS1, NQO1 TOP2A 65/4885TOP2B 155/4885KCNH2 3433/4885

“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.