SCHEMBL4661303

SCHEMBL4661303

COc1ccccc1C(c1cnc2ccccc2c1)C(C#N)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.44
ALPL P05186 8/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
MGAM O43451 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 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
SCHEMBL4659922 0.90 ALPL (0.42) PDE4DALPLKMT2AMEN1SMN1; SMN2
SCHEMBL4659962 0.77 PDE4D (0.43) PDE4DALPLKMT2AMEN1PDE4A
SCHEMBL4661267 0.76 ACHE (0.40) KMT2AMEN1KDM4ELMNANPC1
SCHEMBL4659895 0.76 KMT2A (0.46) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL4659897 0.76 KMT2A (0.46) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL6404486 0.76 KMT2A (0.46) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL4660062 0.74 PDE4D (0.43) PDE4DALPLKMT2AMEN1PDE4A
SCHEMBL4660066 0.74 PDE4D (0.43) PDE4DALPLKMT2AMEN1PDE4A
SCHEMBL4660107 0.74 ALPL (0.43) PDE4DALPLKMT2AMEN1SMN1; SMN2
SCHEMBL4660099 0.72 KMT2A (0.47) KMT2AMEN1KDM4ELMNAALDH1A1

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 6 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 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 PDE4D 4022/4885ALPL 3297/4885KMT2A 3201/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 PDE4D 2373/4885ALPL 3967/4885KMT2A 2695/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 PDE4D 2317/4885ALPL 3792/4885KMT2A 2809/4885

“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.