SCHEMBL4660133

SCHEMBL4660133

CCOC(=O)C(C#N)C(c1ccc(N(C)C)cc1)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
GAA P10253 5/20 0.42
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
MEN1 O00255 2/20 0.37
CNR2 P34972 1/20 0.37
RAB9A P51151 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
MCL1 Q07820 1/20 0.36
CDC25B P30305 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
SCHEMBL4660010 0.89 GAA (0.42) GAAALDH1A1TDP1L3MBTL1HPGD
SCHEMBL4660065 0.89 GAA (0.46) GAAALDH1A1L3MBTL1HPGDKMT2A
SCHEMBL4660059 0.87 GAA (0.41) MAPTGAAALDH1A1L3MBTL1HPGD
SCHEMBL4660079 0.87 SMN1; SMN2 (0.41) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL4661479 0.86 ALDH1A1 (0.45) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL4659953 0.86 NPBWR1 (0.46) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL4661578 0.85 MAPT (0.42) MAPTGAAALDH1A1TDP1POLB
SCHEMBL4661279 0.85 GAA (0.40) MAPTGAAALDH1A1TDP1L3MBTL1
SCHEMBL4661277 0.85 GAA (0.41) GAAALDH1A1POLBL3MBTL1HPGD
SCHEMBL4660164 0.82 SMN1; SMN2 (0.41) GAAALDH1A1TDP1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406867-B1 THIOLALKYL BENZOIC ACID DERIVATIVES GUILFORD PHARM INC (US) 2008-12-31 EP claimed
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
EP-1620102-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2006-02-01 EP claimed
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 US claimed
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use WYETH 2005-01-06 US claimed
WO-2004099150-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH (US) 2004-11-18 WO claimed
EP-1620102-B1 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH CORP (US) 2008-12-24 EP disclosed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US disclosed
EP-1620102-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS Wyeth (US) 2006-02-01 EP disclosed
US-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis WYETH (US) 2005-11-17 US disclosed
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use WYETH 2005-01-06 US disclosed
WO-2004099150-A2 3-(1-NAPHTHYL)-2-CYANOPROPANOIC ACID DERIVATIVES AS ESTROGEN RECEPTOR LIGANDS WYETH (US) 2004-11-18 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 (3 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-20050256132-A1 Use of ER selective NF-kB inhibitors for the treatment of sepsis NFKBIA, IKBKB, NFKB2 MAPT 3590/4885GAA 4557/4885ALDH1A1 4483/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 MAPT 4643/4885GAA 2578/4885ALDH1A1 1159/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 MAPT 4688/4885GAA 2566/4885ALDH1A1 1172/4885

“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.