SCHEMBL2198753

SCHEMBL2198753

COc1c(N2CCC3(CC2)CNC(=O)C3)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(C3CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 4/20 0.44
KCNH2 Q12809 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
OPRM1 P35372 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.40
GSK3B P49841 1/20 0.37

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
SCHEMBL1972738 0.92 KDM4E (0.40) KDM4EALDH1A1HPGDKCNH2TDP1
SCHEMBL2200898 0.90 TOP1 (0.37) KDM4EALDH1A1TDP1POLBLMNA
SCHEMBL12427372 0.86 KCNH2 (0.47) KDM4EALDH1A1HPGDKCNH2TDP1
SCHEMBL13744369 0.85 KDM4E (0.63) KDM4EALDH1A1HPGDKCNH2TDP1
SCHEMBL12427396 0.84 KCNH2 (0.47) KDM4EALDH1A1HPGDKCNH2TDP1
SCHEMBL12427373 0.84 TOP1 (0.39) KDM4EALDH1A1KCNH2TDP1POLB
SCHEMBL1973336 0.83 TOP1 (0.32) KDM4EALDH1A1HPGDKCNH2TDP1
SCHEMBL12427329 0.83 KCNH2 (0.44) KDM4EALDH1A1HPGDKCNH2TDP1
SCHEMBL13744782 0.82 KDM4E (0.55) KDM4EALDH1A1HPGDKCNH2TDP1
SCHEMBL13744543 0.81 KDM4E (0.52) KDM4EALDH1A1HPGDKCNH2TDP1

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 8 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-7977349-B2 Substituted quinolones III AICURIS GMBH & CO. KG (DE) 2011-07-12 US disclosed
EP-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 EP 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
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 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-20090181996-A1 SUBSTITUTED QUINOLONES III IRF3, TPMT, TOP2A KDM4E 1743/4885ALDH1A1 3228/4885HPGD 1475/4885

“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.