SCHEMBL4660079

SCHEMBL4660079

CCOC(=O)C(C#N)C(c1ccc(-c2ccccc2)cc1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
ACP3 P15309 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CDC25B P30305 1/20 0.38
PRNP P04156 1/20 0.37
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
BACE1 P56817 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
SCHEMBL4660065 0.93 GAA (0.46) SMN1; SMN2L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4660010 0.91 GAA (0.42) SMN1; SMN2L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4660059 0.89 GAA (0.41) SMN1; SMN2L3MBTL1GAAMAPK1ACP3
SCHEMBL4661479 0.88 ALDH1A1 (0.45) SMN1; SMN2L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4659953 0.88 NPBWR1 (0.46) SMN1; SMN2L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4660133 0.87 MAPT (0.42) SMN1; SMN2L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4661279 0.87 GAA (0.40) SMN1; SMN2L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4661277 0.87 GAA (0.41) SMN1; SMN2L3MBTL1GAAMAPK1ACP3
SCHEMBL4661402 0.87 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1GAAMAPK1ALDH1A1
SCHEMBL4662730 0.85 ACP3 (0.43) SMN1; SMN2ACP3ALDH1A1HPGDPPARG

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
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
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
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
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

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 SMN1; SMN2 3620/4885L3MBTL1 2212/4885GAA 4557/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 SMN1; SMN2 1893/4885L3MBTL1 4179/4885GAA 2578/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 SMN1; SMN2 1969/4885L3MBTL1 4004/4885GAA 2566/4885

“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.