SCHEMBL964679

SCHEMBL964679

CCCCCN(CC)C(=O)NC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA9 Q16790 5/20 0.46
MGLL Q99685 1/20 0.43
ZDHHC20 Q5W0Z9 2/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CA2 P00918 3/20 0.38
ADH1C P00326 3/20 0.38
ADH1A P07327 3/20 0.38
ADH1B P00325 2/20 0.38
ADH7 P40394 2/20 0.38
ADH4 P08319 2/20 0.38
EPHX1 P07099 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP8 P22894 1/20 0.37
SHMT2 P34897 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL10867119 0.81 LMNA (0.39) CA12CA1CA9CA2MMP1
SCHEMBL965007 0.79 EPHX2 (0.48) CA12CA1CA9ZDHHC20ZDHHC2
SCHEMBL3966082 0.77 MGLL (0.47) CA12CA1CA9MGLLZDHHC20
SCHEMBL20733206 0.77 MGLL (0.47) CA12CA1CA9MGLLZDHHC20
SCHEMBL30945829 0.77 EPHX1 (0.48) CA12CA1CA9MGLLEPHX1
SCHEMBL964677 0.76 CA12 (0.44) CA12CA1CA9MGLLZDHHC20
SCHEMBL27604683 0.76 EPHX1 (0.53) CA12CA1CA9MGLLZDHHC20
SCHEMBL967106 0.74 CA12 (0.55) CA12CA1CA9MGLLCA2
SCHEMBL20625245 0.73 MGLL (0.55) CA12CA1CA9MGLLZDHHC20
SCHEMBL15746844 0.73 CA12 (0.54) CA12CA1CA9MGLLZDHHC20

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 CA12 2872/4885CA1 4367/4885CA9 2725/4885

“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.