SCHEMBL3029447

SCHEMBL3029447

CCN(CC)C(=O)C=CN(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 2/20 0.36
LMNA P02545 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
BCHE P06276 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL3029444 1.00 NPC1 (0.46) NPC1L3MBTL1TDP1MAPTRAB9A
SCHEMBL1395649 0.82 NPC1 (0.54) NPC1L3MBTL1MAPTALDH1A1KMT2A
SCHEMBL1630772 0.82 NPC1 (0.54) NPC1L3MBTL1MAPTALDH1A1KMT2A
SCHEMBL1022195 0.82 NPC1 (0.54) NPC1L3MBTL1MAPTALDH1A1KMT2A
SCHEMBL20143905 0.77 NPC1 (0.40) NPC1L3MBTL1ALDH1A1LMNATRPM8
SCHEMBL4787589 0.75 NPC1 (0.48) NPC1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL104713 0.75 NPC1 (0.48) NPC1L3MBTL1KMT2ALMNATRPM8
SCHEMBL15931520 0.75 NPC1 (0.48) NPC1L3MBTL1ALDH1A1KMT2ALMNA
SCHEMBL104712 0.75 NPC1 (0.48) NPC1L3MBTL1KMT2ALMNATRPM8
SCHEMBL3040815 0.74 TDP1 (0.48) NPC1L3MBTL1TDP1MAPTRAB9A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2195284-B1 PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2017-03-22 EP claimed
EP-2245001-B1 Method for the production of 2-fluoroacyl-3-amino-acrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-03-20 EP claimed
US-8288582-B2 Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-10-16 US claimed
US-8258335-B2 Process for preparing 2-dihaloacyl-3-aminoacrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-09-04 US claimed
EP-2245001-A1 METHOD FOR THE PRODUCTION OF 2-FLUOROACYL-3-AMINO-ACRYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2010-11-03 EP claimed
US-20100274049-A1 Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2010-10-28 US claimed
US-20100204483-A1 PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-08-12 US claimed
EP-2195284-A1 PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2010-06-16 EP claimed
WO-2009083134-A1 METHOD FOR THE PRODUCTION OF 2-FLUOROACYL-3-AMINO-ACRYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-07-09 WO claimed
EP-2072497-A1 Method for manufacturing 2-fluoracyl-3-amino-acrylic acid derivatives Bayer CropScience AG (DE) 2009-06-24 EP claimed
WO-2009043444-A1 PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-04-09 WO claimed
EP-2042482-A1 Method for manufacturing 2-dihalogenacyl-3-amino-acrylic acid derivatives Bayer CropScience AG (DE) 2009-04-01 EP claimed
EP-2195284-B1 PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES BAYER IP GMBH (DE) 2017-03-22 EP disclosed
EP-2245001-B1 Method for the production of 2-fluoroacyl-3-amino-acrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2013-03-20 EP disclosed
US-8288582-B2 Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-10-16 US disclosed
US-8258335-B2 Process for preparing 2-dihaloacyl-3-aminoacrylic acid derivatives BAYER CROPSCIENCE AG (DE) 2012-09-04 US disclosed
EP-2057126-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2009-05-13 EP disclosed
WO-2009043444-A1 PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-04-09 WO disclosed
EP-2042482-A1 Method for manufacturing 2-dihalogenacyl-3-amino-acrylic acid derivatives Bayer CropScience AG (DE) 2009-04-01 EP disclosed
WO-2008022777-A2 PROCESS FOR PREPARING 3-DIHALOMETHYLPYRAZOLE-4-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-02-28 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-20100204483-A1 PROCESS FOR PREPARING 2-DIHALOACYL-3-AMINOACRYLIC ACID DERIVATIVES AADAT, DDC, IDUA NPC1 4187/4885L3MBTL1 4735/4885TDP1 1688/4885
US-20100274049-A1 Method for the production of 2-fluoroacyl-3-aminoacrylic acid derivatives AADAT, AADAC, ALAD NPC1 4700/4885L3MBTL1 4296/4885TDP1 2572/4885

“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.