SCHEMBL967995

SCHEMBL967995

CCCCCCNC(=O)NC=O

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.72
ADH1B P00325 1/20 0.56
ADH1C P00326 1/20 0.56
ADH1A P07327 1/20 0.56
ADH4 P08319 1/20 0.56
ADH7 P40394 1/20 0.56
ZDHHC20 Q5W0Z9 1/20 0.55
ZDHHC2 Q9UIJ5 1/20 0.55
CASP2 P42575 1/20 0.53
EPHX2 P34913 5/20 0.53

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
SCHEMBL5166891 0.98 EPHX1 (0.68) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL10867937 0.91 EPHX1 (0.61) EPHX1ADH1BADH1CADH1AADH7
SCHEMBL25223702 0.84 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2CASP2EPHX2
SCHEMBL25278283 0.84 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2CASP2EPHX2
SCHEMBL25277850 0.84 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2CASP2EPHX2
SCHEMBL25228721 0.84 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2CASP2EPHX2
SCHEMBL25275041 0.84 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2CASP2EPHX2
SCHEMBL25230056 0.84 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2CASP2EPHX2
SCHEMBL25226893 0.84 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2CASP2EPHX2
SCHEMBL25228459 0.84 EPHX1 (1.00) EPHX1ZDHHC20ZDHHC2CASP2EPHX2

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 EPHX1 1620/4885ADH1B 1783/4885ADH1C 4688/4885

“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.