SCHEMBL487811

SCHEMBL487811

CN(Cc1cnc(Cl)c(Cl)c1)C1=C(Cl)C(=O)OC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAOB P27338 4/20 0.31
MAOA P21397 3/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL231698 0.77 ALDH1A1 (0.33) ALDH1A1NPSR1MAOB
SCHEMBL487384 0.77 ALDH1A1 (0.33) ALDH1A1NPSR1MAOB
SCHEMBL1165038 0.72 ALDH1A1 (0.30) ALDH1A1NPSR1
SCHEMBL232213 0.71 ALDH1A1 (0.37) ALDH1A1NPSR1
SCHEMBL487562 0.68 ALDH1A1 (0.32) ALDH1A1NPSR1
SCHEMBL2889450 0.68 ALDH1A1 (0.36) ALDH1A1KMT2A
SCHEMBL232437 0.67
SCHEMBL487569 0.67 CA1 (0.31) ALDH1A1NPSR1
SCHEMBL2419268 0.66 ALDH1A1 (0.43) ALDH1A1NPSR1OPRM1OPRD1KMT2A
SCHEMBL121098 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004606-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-04-24 EP disclosed
EP-2004606-B1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-04-24 EP disclosed
US-8106212-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 US disclosed
US-8106212-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 US disclosed
US-8106212-B2 Substituted enaminocarbonyl compounds BAYER CROPSCIENCE AG (DE) 2012-01-31 US disclosed
US-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-01 US disclosed
US-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-01 US disclosed
US-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-10-01 US disclosed
EP-2004606-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS Bayer CropScience AG (DE) 2008-12-24 EP disclosed
WO-2007115643-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 WO disclosed
WO-2007115643-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 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-20090247551-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS DDT, NPEPPS, L3MBTL4 ALDH1A1 4014/4885NPSR1 3112/4885MAOB 1259/4885

“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.