SCHEMBL487329

SCHEMBL487329

O=C1C=C(NCc2cnc(Br)c(Cl)c2)CO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL230414 0.77 KDM4E (0.50) ALDH1A1
SCHEMBL487359 0.72
SCHEMBL3036155 0.68 POLB (0.53) ALDH1A1LMNAHTTNPSR1
SCHEMBL12056328 0.68
SCHEMBL163147 0.68 GAA (0.38) ALDH1A1
SCHEMBL15271115 0.68 KCNQ3 (0.30)
SCHEMBL4668404 0.66
SCHEMBL487536 0.63 CHRNB2 (0.36)
SCHEMBL3036907 0.62
SCHEMBL15226755 0.62 MAPT (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004636-B1 Substituted enaminocarbonyl compounds used as insecticides BAYER IP GMBH (DE) 2015-04-22 EP disclosed
EP-2004636-B1 Substituted enaminocarbonyl compounds used as insecticides BAYER IP GMBH (DE) 2015-04-22 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-8084452-B2 Substituted enaminocarbonyl compounds used as insecticides BAYER CROPSCIENCE AG (DE) 2011-12-27 US disclosed
US-8084452-B2 Substituted enaminocarbonyl compounds used as insecticides BAYER CROPSCIENCE AG (DE) 2011-12-27 US disclosed
US-20100240705-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-09-23 US disclosed
US-20100240705-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-09-23 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-2004636-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES Bayer CropScience AG (DE) 2008-12-24 EP disclosed
WO-2007115646-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES 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 (2 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 4014/4885CYP3A4 1992/4885CYP2D6 3259/4885
US-20100240705-A1 SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES DDT, BCHE, PTMS ALDH1A1 2848/4885CYP3A4 762/4885CYP2D6 2532/4885

“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.