SCHEMBL4659922

SCHEMBL4659922

COC(=O)C(C#N)C(c1cnc2ccccc2c1)c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 9/20 0.42
PDE4D Q08499 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NOTUM Q6P988 1/20 0.39
FAAH O00519 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
SCHEMBL4661303 0.90 PDE4D (0.44) ALPLPDE4DKMT2AMEN1KDM4E
SCHEMBL4660107 0.77 ALPL (0.43) ALPLPDE4DKMT2AMEN1KDM4E
SCHEMBL4661393 0.76 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL4660037 0.76 KDM4E (0.39) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4659962 0.74 PDE4D (0.43) ALPLPDE4DKMT2AMEN1KDM4E
SCHEMBL6190703 0.72 KDM4E (0.50) PDE4DKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4660093 0.72 PDE4D (0.40) ALPLPDE4DKMT2AMEN1KDM4E
SCHEMBL4660066 0.71 PDE4D (0.43) ALPLPDE4DKMT2AMEN1KDM4E
SCHEMBL4660062 0.71 PDE4D (0.43) ALPLPDE4DKMT2AMEN1KDM4E
SCHEMBL4661609 0.69 SMN1; SMN2 (0.46) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1

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