SCHEMBL2200702

SCHEMBL2200702

COc1c(N2CCC(C(=O)O)CC2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn([C@H]3C[C@H]3F)c12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
TOP1 P11387 8/20 0.44
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRKD3 O94806 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
PTGDR Q13258 1/20 0.40

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
SCHEMBL12427385 1.00 KCNH2 (0.46) KCNH2TOP1EPHX2KDM4EALDH1A1
SCHEMBL12427409 0.92 KCNH2 (0.55) KCNH2TOP1EPHX2KDM4EALDH1A1
SCHEMBL12427322 0.92 KCNH2 (0.43) KCNH2TOP1KDM4EALDH1A1POLB
SCHEMBL1974487 0.92 KCNH2 (0.45) KCNH2TOP1KDM4EALDH1A1POLB
SCHEMBL12917329 0.87 KDM4E (0.46) KCNH2TOP1KDM4EALDH1A1POLB
SCHEMBL13744891 0.87 KDM4E (0.46) KCNH2TOP1KDM4EALDH1A1POLB
SCHEMBL4257328 0.87 KDM4E (0.46) KCNH2TOP1KDM4EALDH1A1POLB
SCHEMBL966711 0.87 KDM4E (0.46) KCNH2TOP1KDM4EALDH1A1POLB
SCHEMBL12917302 0.87 KDM4E (0.46) KCNH2TOP1KDM4EALDH1A1POLB
SCHEMBL2202775 0.86 TOP1 (0.49) KCNH2TOP1EPHX2PTGDR

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-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 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-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A KCNH2 3792/4885TOP1 4/4885EPHX2 3177/4885

“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.