SCHEMBL3033442

SCHEMBL3033442

O=C1C=C(N(Cc2ccccc2)Cc2ccccc2)CO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
TSHR P16473 3/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 2/20 0.36
ADRA2A P08913 2/20 0.36
ADRA2C P18825 2/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP1A2 P05177 1/20 0.36
HTR1A P08908 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
PDE6A P16499 1/20 0.36
MC4R P32245 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
MC3R P41968 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL30025461 0.87 CA2 (0.35) CYP2C19TSHRCA2LMNAADRA2A
SCHEMBL30025623 0.87 PKM (0.35) CYP2C19CA2SLC6A3OPRM1DRD3
SCHEMBL3025243 0.84 L3MBTL1 (0.42) LMNAKMT2AALDH1A1NPC1MAPT
SCHEMBL3039549 0.83 ALDH1A1 (0.43) LMNASLC6A3KMT2AALDH1A1MAPT
SCHEMBL28892305 0.77 NR3C2 (0.49) TSHRALDH1A1MAPTNR1H3
SCHEMBL30025553 0.72 CYP2C19 (0.36) CYP2C19SLC6A2SLC6A4
SCHEMBL30024671 0.72 ALDH1A1 (0.31) CYP2C19TSHRADRA2AADRA1ASLC6A3
SCHEMBL30025204 0.72 SLC6A2 (0.41) CYP2C19LMNASLC6A3CYP2D6KMT2A
SCHEMBL30026193 0.72 TAS2R14 (0.39) CYP2C19SLC6A2SLC6A4
SCHEMBL28892254 0.72 MDM2 (0.34) ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801913-B Method for producing 4-aminobut-2-enolides BAYER CROPSCIENCE AG 2014-06-11 CN disclosed
EP-2203410-B1 METHOD FOR PRODUCING 4-AMINOBUT-2-ENOLIDES BAYER CROPSCIENCE AG (DE) 2014-03-26 EP disclosed
EP-2253610-B1 Method for manufacturing of enaminocarbonyl-compounds and their use in preparing 4-aminobut-2-enolids BAYER CROPSCIENCE AG (DE) 2013-11-20 EP disclosed
US-8487112-B2 Method for producing 4-aminobut-2-enolides BAYER CROPSCIENCE AG (DE) 2013-07-16 US disclosed
EP-2253610-A1 Method for manufacturing 4-aminobut-2-enolids Bayer CropScience AG (DE) 2010-11-24 EP disclosed
US-20100204480-A1 METHOD FOR PRODUCING 4-AMINOBUT-2-ENOLIDES BAYER CROPSCIENCE (DE) 2010-08-12 US disclosed
EP-2203410-A1 METHOD FOR PRODUCING 4-AMINOBUT-2-ENOLIDES Bayer CropScience AG (DE) 2010-07-07 EP disclosed
WO-2009036898-A1 METHOD FOR PRODUCING 4-AMINOBUT-2-ENOLIDES BAYER CROPSCIENCE AG (DE) 2009-03-26 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-20100204480-A1 METHOD FOR PRODUCING 4-AMINOBUT-2-ENOLIDES CYP4B1, TUBB4B, EIF4B CYP2C19 270/4885TSHR 4514/4885CA2 4066/4885

“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.