SCHEMBL964967

SCHEMBL964967

COc1c(N2CC(C)NC(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn(CCF)c12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.47
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KCNH2 Q12809 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
OPRM1 P35372 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
P2RX7 Q99572 1/20 0.41
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL12917322 1.00 TOP1 (0.47) TOP1KDM4EALDH1A1KCNH2POLB
SCHEMBL12917323 0.94 TOP1 (0.45) TOP1KDM4EALDH1A1KCNH2POLB
SCHEMBL4252792 0.93 TOP1 (0.46) TOP1KDM4EALDH1A1KCNH2POLB
SCHEMBL12917330 0.92 TOP1 (0.45) TOP1KDM4EALDH1A1KCNH2POLB
SCHEMBL967505 0.92 TOP1 (0.45) TOP1KDM4EALDH1A1KCNH2POLB
SCHEMBL12917325 0.92 TOP1 (0.45) TOP1KDM4EALDH1A1KCNH2POLB
Hydrochloric Acid SCHEMBL4252217 0.91 TOP1 (0.44) TOP1KDM4EALDH1A1KCNH2POLB
SCHEMBL12917338 0.91 TOP1 (0.44) TOP1KDM4EALDH1A1KCNH2POLB
SCHEMBL5167050 0.90 P2RX7 (0.41) TOP1KDM4EALDH1A1KCNH2POLB
SCHEMBL13744769 0.89 TOP1 (0.47) TOP1KDM4EALDH1A1KCNH2POLB

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 2 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

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 TOP1 8/4885KDM4E 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.