SCHEMBL967927

SCHEMBL967927

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.38
TOP1 P11387 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
PMP22 Q01453 1/20 0.32

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
SCHEMBL967926 0.90 STAT3 (0.39) STAT3TOP1SMN1; SMN2KMT2AKDM4E
SCHEMBL964499 0.85 STAT3 (0.52) STAT3KMT2AKDM4EALDH1A1HPGD
SCHEMBL967928 0.84 KDM4E (0.46) TOP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12917147 0.83 STAT3 (0.36) STAT3TOP1SMN1; SMN2KMT2AKDM4E
SCHEMBL9233680 0.81 KDM4E (0.41) STAT3TOP1SMN1; SMN2KMT2AKDM4E
SCHEMBL1974491 0.79 STAT3 (0.34) STAT3TOP1KDM4EALDH1A1HPGD
SCHEMBL12917038 0.78 STAT3 (0.49) STAT3KMT2AKDM4EALDH1A1HPGD
SCHEMBL3869129 0.78 TOP1 (0.45) STAT3TOP1KMT2AKDM4EALDH1A1
SCHEMBL5118013 0.78 STAT3 (0.33) STAT3TOP1
SCHEMBL12917115 0.77 KDM4E (0.45) TOP1KDM4EALDH1A1HPGDHSD17B10

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 6 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-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-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-20070293478-A1 Substituted quinolones BAYER HEALTHCARE AG (DE) 2007-12-20 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 (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 STAT3 3584/4885TOP1 4/4885SMN1; SMN2 3686/4885
US-20080261964-A1 Substituted quinolones II TOP2A, TPMT, TOP2B STAT3 4425/4885TOP1 4/4885SMN1; SMN2 3004/4885
US-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 STAT3 3914/4885TOP1 8/4885SMN1; SMN2 3783/4885

“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.