SCHEMBL5652121

SCHEMBL5652121

COC(=O)/C=C/CN[C]=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.50
HCAR2 Q8TDS4 2/20 0.50
KEAP1 Q14145 1/20 0.50
TTR P02766 1/20 0.34
APP P05067 1/20 0.34
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GFPT1 Q06210 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5652124 1.00 NFE2L2 (0.50) NFE2L2HCAR2KEAP1TTRAPP
SCHEMBL9033716 0.82 MAPT (0.49) HCAR2TTRRAB9ACA12CA1
SCHEMBL5653140 0.82 HCAR2 (0.44) NFE2L2HCAR2KEAP1TTRAPP
SCHEMBL5653137 0.82 HCAR2 (0.44) NFE2L2HCAR2KEAP1TTRAPP
SCHEMBL9033711 0.82 MAPT (0.49) HCAR2TTRRAB9ACA12CA1
SCHEMBL4963599 0.77
SCHEMBL4963608 0.77
Hydrochloric Acid SCHEMBL4966555 0.76 HCAR2 (0.52) NFE2L2HCAR2KEAP1TTRAPP
SCHEMBL5650775 0.75
SCHEMBL5650777 0.75

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
EP-0705835-A1 Quinoxalic-2,3-diones with an oxa or thiaheterocyclic fused ring CIBA-GEIGY AG (CH) 1996-04-10 EP 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 NFE2L2 1950/4885HCAR2 786/4885KEAP1 1650/4885

“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.