SCHEMBL968143

SCHEMBL968143

COc1c(N2CCN(CCOCCO)CC2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 8/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KCNH2 Q12809 2/20 0.39
TOP1 P11387 2/20 0.38
DRD3 P35462 1/20 0.38
HPGD P15428 3/20 0.36
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
OPRM1 P35372 1/20 0.36
CLK2 P49760 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL964823 0.92 EPHX2 (0.40) EPHX2KDM4EALDH1A1POLBKCNH2
SCHEMBL964742 0.92 EPHX2 (0.40) EPHX2KDM4EALDH1A1POLBKCNH2
SCHEMBL12917296 0.92 EPHX2 (0.40) EPHX2KDM4EALDH1A1POLBKCNH2
SCHEMBL5278268 0.91 EPHX2 (0.36) EPHX2KDM4EALDH1A1LMNAPOLB
SCHEMBL965915 0.87 KDM4E (0.46) KDM4EALDH1A1LMNAPOLBTDP1
SCHEMBL12427385 0.86 KCNH2 (0.46) EPHX2KDM4EALDH1A1LMNAPOLB
SCHEMBL2200702 0.86 KCNH2 (0.46) EPHX2KDM4EALDH1A1LMNAPOLB
SCHEMBL12917290 0.85 ALDH1A1 (0.41) EPHX2KDM4EALDH1A1POLBKCNH2
SCHEMBL964744 0.85 KDM4E (0.39) EPHX2KDM4EALDH1A1LMNAPOLB
SCHEMBL1974487 0.84 KCNH2 (0.45) KDM4EALDH1A1LMNAPOLBTDP1

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-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-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

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 EPHX2 2745/4885KDM4E 1489/4885ALDH1A1 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.