SCHEMBL965007

SCHEMBL965007

CCCCCCN(C)C(=O)NC=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.48
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH4 P08319 2/20 0.41
EPHX1 P07099 1/20 0.41
ADH1B P00325 1/20 0.41
ADH7 P40394 1/20 0.41
DNM1 Q05193 5/20 0.40
ZDHHC20 Q5W0Z9 2/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37

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
SCHEMBL968066 0.84 CA12 (0.37) EPHX2ADH1AADH1BADH7CA12
SCHEMBL964679 0.79 CA12 (0.46) ADH1CADH1AADH4EPHX1ADH1B
SCHEMBL23139649 0.77 EPHX2 (0.54) EPHX2EPHX1DNM1KDM5AKDM4C
SCHEMBL27572644 0.77 EPHX2 (0.47) EPHX2EPHX1DNM1KDM5AKDM4C
SCHEMBL11015481 0.77 EPHX2 (0.47) EPHX2EPHX1DNM1KDM5AKDM4C
SCHEMBL15334066 0.76 EPHX2 (0.45) EPHX2EPHX1DNM1KDM5AKDM4C
SCHEMBL18923401 0.76 EPHX2 (0.46) EPHX2EPHX1DNM1KDM5AKDM4C
SCHEMBL10341548 0.74 EPHX2 (0.53) EPHX2DNM1KDM5AKDM4CPHF8
SCHEMBL11634642 0.73 EPHX2 (0.62) EPHX2DNM1S1PR2S1PR1S1PR3
SCHEMBL11046710 0.73 EPHX2 (0.62) EPHX2DNM1S1PR2S1PR1S1PR3

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 EPHX2 2745/4885ADH1C 4688/4885ADH1A 3445/4885

“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.