SCHEMBL965005

SCHEMBL965005

CCCCCCN([C]=O)C(=O)NC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.39
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
DNM1 Q05193 5/20 0.35
KDM5A P29375 3/20 0.35
PHF8 Q9UPP1 3/20 0.35
KDM4C Q9H3R0 2/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
CES2 O00748 3/20 0.34
CES1 P23141 3/20 0.34
HSP90AA1 P07900 1/20 0.34
EPHX2 P34913 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
SCHEMBL29055799 0.84 FAAH (0.44) EPHX1DNM1KDM5APHF8KDM4C
SCHEMBL7684377 0.80 EPHX1 (0.47) EPHX1DNM1ZDHHC20ZDHHC2EPHX2
SCHEMBL10925540 0.79 DNM1 (0.39) DNM1ZDHHC20ZDHHC2CES2CES1
SCHEMBL1401294 0.79 GPR84 (0.41) DNM1ZDHHC20EPHX2
SCHEMBL1400991 0.76 AKR1B1 (0.39) DNM1KDM5AKDM4CZDHHC20EPHX2
SCHEMBL7674452 0.76 FAAH (0.50) DNM1ZDHHC20ZDHHC2EPHX2
SCHEMBL8614628 0.76 PLA2G2A (0.38) EPHX1
SCHEMBL965001 0.76
SCHEMBL7686630 0.75 CES2 (0.34) EPHX1S1PR2S1PR1S1PR3S1PR5
SCHEMBL9781921 0.75 KDM5A (0.45) EPHX1S1PR2S1PR1S1PR3S1PR5

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 1620/4885S1PR2 4566/4885S1PR1 4431/4885

“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.