SCHEMBL487602

SCHEMBL487602

O=C(O)NOCCc1cnc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLAU P00749 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
SCHEMBL3714098 0.71 CA2 (0.50) CPB2TDP1KMT2AMEN1TSHR
SCHEMBL487579 0.70 CPB2 (0.38) CPB2TDP1KMT2AALDH1A1L3MBTL1
SCHEMBL1549300 0.70 ALDH1A1 (0.36) TDP1KMT2AALDH1A1MEN1
SCHEMBL2420113 0.70 TAAR1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL20245754 0.70 ALDH1A1 (0.35) TDP1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3710578 0.69 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL10840981 0.68 ALDH1A1 (0.36) TDP1KMT2AALDH1A1MEN1
SCHEMBL22775209 0.68 GRIA2 (0.50) CPB2TDP1
SCHEMBL10282386 0.67 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27764275 0.67 ALDH1A1 (0.35) TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CPB2 684/4885TDP1 3443/4885KMT2A 1680/4885

“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.