SCHEMBL968188

SCHEMBL968188

COc1c(N2CC(C)N(C(=O)CCl)C(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(OC(F)(F)F)cc3C)cn(CC(F)(F)F)c12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.40
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 2/20 0.35
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL12917260 1.00 TOP1 (0.40) TOP1KDM4EALDH1A1LMNATDP1
SCHEMBL12917514 0.94 TOP1 (0.41) TOP1KDM4EALDH1A1LMNATDP1
SCHEMBL5275382 0.91 KDM4E (0.35) TOP1KDM4EALDH1A1LMNATDP1
SCHEMBL14338714 0.90 TOP1 (0.37) TOP1KDM4EALDH1A1LMNATDP1
SCHEMBL2203435 0.89 TOP1 (0.41) TOP1KDM4EALDH1A1LMNATDP1
SCHEMBL964549 0.89 TOP1 (0.41) TOP1KDM4EALDH1A1LMNATDP1
SCHEMBL12917371 0.89 TOP1 (0.41) TOP1KDM4EALDH1A1LMNATDP1
SCHEMBL12427356 0.89 TOP1 (0.41) TOP1KDM4EALDH1A1LMNATDP1
SCHEMBL966596 0.88 TOP1 (0.40) TOP1KDM4EALDH1A1LMNATDP1
SCHEMBL12917501 0.88 TOP1 (0.40) TOP1KDM4EALDH1A1LMNATDP1

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.