SCHEMBL967928

SCHEMBL967928

COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(CC(F)(F)F)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
TOP1 P11387 6/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 5/20 0.44
TSHR P16473 2/20 0.44
RAB9A P51151 1/20 0.44
PMP22 Q01453 1/20 0.43
KCNH2 Q12809 3/20 0.42
GSK3B P49841 1/20 0.42
DRD3 P35462 1/20 0.41
CHRM1 P11229 1/20 0.41
POLB P06746 1/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL12917115 0.92 KDM4E (0.45) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL8503513 0.90 KDM4E (0.53) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL964499 0.87 STAT3 (0.52) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1974491 0.87 STAT3 (0.34) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL9233676 0.86 KDM4E (0.51) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL967926 0.86 STAT3 (0.39) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL9098398 0.86 KDM4E (0.61) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL10681198 0.86 KDM4E (0.51) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL12427278 0.85 KDM4E (0.47) KDM4ETOP1ALDH1A1HPGDHSD17B10
SCHEMBL967927 0.84 STAT3 (0.38) KDM4ETOP1ALDH1A1HPGDHSD17B10

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 22 patents — showing the first 20. 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-7867992-B2 such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses AICURIS GMBH & CO. KG (DE) 2011-01-11 US disclosed
US-7867992-B2 such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses AICURIS GMBH & CO. KG (DE) 2011-01-11 US disclosed
US-7867992-B2 such as 1-Cyclopropyl-N-(2,4-dichlorobenzyl)-6-fluoro-8-methoxy-7-[3-methyl-4-(2-{[(methylamino)carbonyl]amino}-2-oxoethyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxamide, used for the treatment and/or prophylaxis of viral diseases or infections, particularly against cytomegaloviruses AICURIS GMBH & CO. KG (DE) 2011-01-11 US disclosed
US-7569563-B2 Substituted quinolones II AICURIS GMBH & CO. HK (DE) 2009-08-04 US disclosed
US-7569563-B2 Substituted quinolones II AICURIS GMBH & CO. HK (DE) 2009-08-04 US disclosed
US-7569563-B2 Substituted quinolones II AICURIS GMBH & CO. HK (DE) 2009-08-04 US disclosed
US-20090181996-A1 SUBSTITUTED QUINOLONES III BAYER HEALTHCARE AG (DE) 2009-07-16 US disclosed
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 US disclosed
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 US disclosed
US-20080261964-A1 Substituted quinolones II AICURIS GMBH & CO. KG (DE) 2008-10-23 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
US-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 US disclosed
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed
WO-2007090579-A2 SUBSTITUTED QUINOLONES III AICURIS GMBH & CO. KG (DE) 2007-08-16 WO disclosed
WO-2007003308-A1 SUBSTITUTED QUINOLONES II AICURIS GMBH & CO. KG (DE) 2007-01-11 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 (3 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 1743/4885TOP1 4/4885ALDH1A1 3228/4885
US-20080261964-A1 Substituted quinolones II TOP2A, TPMT, TOP2B KDM4E 2492/4885TOP1 4/4885ALDH1A1 1587/4885
US-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 KDM4E 1489/4885TOP1 8/4885ALDH1A1 2853/4885

“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.