SCHEMBL968932

SCHEMBL968932

COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.66
HPGD P15428 5/20 0.66
ALDH1A1 P00352 5/20 0.66
KCNH2 Q12809 3/20 0.66
HSD17B10 Q99714 3/20 0.66
POLB P06746 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
PRKD3 O94806 1/20 0.66
ALOX15 P16050 1/20 0.66
OPRM1 P35372 1/20 0.66
CLK2 P49760 1/20 0.66
CLK4 Q9HAZ1 1/20 0.66
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.53
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL12917170 1.00 KDM4E (0.66) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL4711938 1.00 KDM4E (0.66) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL5281738 0.89 KDM4E (0.53) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL968199 0.89 KDM4E (0.82) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL968200 0.89 KDM4E (0.82) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL12414680 0.88 KDM4E (0.57) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL13744862 0.87 KDM4E (0.76) KDM4EHPGDALDH1A1KCNH2HSD17B10
Hydrochloric Acid SCHEMBL9774005 0.87 KDM4E (0.79) KDM4EHPGDALDH1A1KCNH2HSD17B10
Hydrochloric Acid SCHEMBL9774015 0.87 KDM4E (0.79) KDM4EHPGDALDH1A1KCNH2HSD17B10
SCHEMBL12917157 0.87 KDM4E (0.76) KDM4EHPGDALDH1A1KCNH2HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20070293478-A1 Substituted quinolones IRF3, TPMT, NQO2 KDM4E 1489/4885HPGD 1061/4885ALDH1A1 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.