SCHEMBL12427396

SCHEMBL12427396

COc1c(N2CCC(C(=O)O)CC2)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(C3CCC3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 2/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.41
TOP1 P11387 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
SCHEMBL12427329 0.93 KCNH2 (0.44) KCNH2KDM4EALDH1A1TDP1POLB
SCHEMBL12427402 0.92 KCNH2 (0.42) KCNH2KDM4EALDH1A1TDP1POLB
SCHEMBL2204916 0.90 TOP1 (0.46) KCNH2KDM4EALDH1A1TDP1POLB
SCHEMBL1974904 0.89 TOP1 (0.45) KCNH2KDM4EALDH1A1TDP1POLB
SCHEMBL12427403 0.88 TOP1 (0.44) KCNH2KDM4EALDH1A1TDP1POLB
SCHEMBL12427404 0.88 TOP1 (0.40) KCNH2KDM4EALDH1A1TDP1POLB
SCHEMBL12427406 0.87 TOP1 (0.39) KCNH2KDM4EALDH1A1TDP1POLB
SCHEMBL12427415 0.87 KCNH2 (0.52) KCNH2KDM4EALDH1A1TDP1POLB
SCHEMBL13744369 0.85 KDM4E (0.63) KCNH2KDM4EALDH1A1TDP1POLB
Diethanolamine SCHEMBL2202026 0.85 TOP1 (0.42) KCNH2KDM4EALDH1A1TDP1POLB

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 4 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-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
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 3792/4885KDM4E 1743/4885ALDH1A1 3228/4885

“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.