SCHEMBL12427273

SCHEMBL12427273

COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CCC3)c12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.60
KDM4E B2RXH2 4/20 0.60
HPGD P15428 4/20 0.60
ALDH1A1 P00352 3/20 0.60
HSD17B10 Q99714 2/20 0.60
POLB P06746 1/20 0.60
PRKD3 O94806 1/20 0.60
ALOX15 P16050 1/20 0.60
OPRM1 P35372 1/20 0.60
CLK2 P49760 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GSK3B P49841 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TOP2A P11388 5/20 0.55
TOP2B Q02880 5/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL13744355 0.98 KDM4E (0.60) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL483223 0.95 KDM4E (0.65) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL29393776 0.95 KDM4E (0.65) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL541515 0.94 KDM4E (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL28424222 0.94 KDM4E (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL541514 0.94 KDM4E (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
Fluoride SCHEMBL5143207 0.93 KDM4E (0.63) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL5455055 0.93 KDM4E (0.63) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL3558935 0.92 KDM4E (0.62) KCNH2KDM4EHPGDALDH1A1HSD17B10
Boric Acid SCHEMBL1155094 0.92 KDM4E (0.62) KCNH2KDM4EHPGDALDH1A1HSD17B10

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 11 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
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1743/4885HPGD 1475/4885
US-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 KCNH2 3938/4885KDM4E 1489/4885HPGD 1061/4885

“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.