SCHEMBL4659953

SCHEMBL4659953

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.46
GAA P10253 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 2/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
PBRM1 Q86U86 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
HTR2C P28335 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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 0.90 GAA (0.42) NPBWR1GAAKMT2AMEN1L3MBTL1
SCHEMBL4660065 0.90 GAA (0.46) NPBWR1GAAKMT2AMEN1L3MBTL1
SCHEMBL4661450 0.89 MAPK1 (0.41) NPBWR1GAAKDM4EKMT2AMEN1
SCHEMBL4661277 0.88 GAA (0.41) NPBWR1GAAKDM4EKMT2AMEN1
SCHEMBL4660059 0.88 GAA (0.41) NPBWR1GAAKDM4EKMT2AMEN1
SCHEMBL4660079 0.88 SMN1; SMN2 (0.41) GAAKMT2AMEN1L3MBTL1TDP1
SCHEMBL4661479 0.87 ALDH1A1 (0.45) NPBWR1GAAKDM4EKMT2AMEN1
SCHEMBL4660013 0.86 NPBWR1 (0.44) NPBWR1GAAKDM4EKMT2AMEN1
SCHEMBL4661279 0.86 GAA (0.40) NPBWR1GAAKDM4EKMT2AMEN1
SCHEMBL4660133 0.86 MAPT (0.42) GAAKDM4EKMT2AMEN1RAB9A

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
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 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
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 NPBWR1 1317/4885GAA 4557/4885KDM4E 1711/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 NPBWR1 1014/4885GAA 2578/4885KDM4E 2551/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 NPBWR1 1062/4885GAA 2566/4885KDM4E 2836/4885

“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.