SCHEMBL969492

SCHEMBL969492

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.44
P2RX7 Q99572 2/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNH2 Q12809 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 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
SCHEMBL12917364 1.00 TOP1 (0.44) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL12917377 0.94 TOP1 (0.43) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL4251735 0.94 TOP1 (0.45) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL13744928 0.94 TOP1 (0.45) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL12917373 0.92 TOP1 (0.42) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL12917407 0.92 TOP1 (0.46) TOP1KDM4EALDH1A1LMNAPOLB
SCHEMBL13744738 0.92 TOP1 (0.41) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL12917473 0.90 TOP1 (0.46) TOP1P2RX7KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL965246 0.89 TOP1 (0.45) TOP1P2RX7KDM4EALDH1A1LMNA
SCHEMBL12917243 0.89 TOP1 (0.43) TOP1P2RX7KDM4EALDH1A1LMNA

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 5 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
EP-1768973-A1 SUBSTITUTED QUINOLONES AiCuris GmbH & Co. KG (DE) 2007-04-04 EP disclosed
WO-2006008046-A1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO. KG (DE) 2006-01-26 WO 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 8/4885P2RX7 224/4885KDM4E 1489/4885

“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.