SCHEMBL3025243

SCHEMBL3025243

O=C1C=C(N(Cc2ccccc2)Cc2ccc(Cl)nc2)CO1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KDM1A O60341 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
TERT O14746 1/20 0.33

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
SCHEMBL28892254 0.89 MDM2 (0.34) L3MBTL1ALDH1A1TDP1
SCHEMBL28892260 0.89 CYP1A2 (0.33) L3MBTL1ALDH1A1TDP1LMNA
SCHEMBL28892309 0.89 KDM1A (0.35) KDM1AMAOB
SCHEMBL28892318 0.89 NAMPT (0.34) L3MBTL1ALDH1A1TDP1KMT2AMEN1
SCHEMBL28892355 0.87 GRM4 (0.37) ALDH1A1GAAKDM4EMAOAMAOB
SCHEMBL28892263 0.87 CTSL (0.36) L3MBTL1ALDH1A1TDP1KDM1AMAOA
SCHEMBL28892325 0.87 ALDH1A1 (0.38) L3MBTL1ALDH1A1TDP1KMT2AMEN1
SCHEMBL2893249 0.86 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL28892329 0.86 AR (0.38) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL28892248 0.86 GBA1 (0.37) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 3807/4885ALDH1A1 468/4885TDP1 3756/4885

“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.