SCHEMBL4661393

SCHEMBL4661393

COC(=O)C(C#N)C(c1ccccc1OC)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
PGR P06401 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KRAS P01116 2/20 0.38
SOS1 Q07889 2/20 0.38
GFER P55789 1/20 0.38
EGFR P00533 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL4659958 0.89 L3MBTL1 (0.43) KMT2AMEN1L3MBTL1SLC6A4ALDH1A1
SCHEMBL4659895 0.89 KMT2A (0.46) KMT2AMEN1L3MBTL1LMNASLC6A4
SCHEMBL6404486 0.89 KMT2A (0.46) KMT2AMEN1L3MBTL1LMNASLC6A4
SCHEMBL4659897 0.89 KMT2A (0.46) KMT2AMEN1L3MBTL1LMNASLC6A4
SCHEMBL4661539 0.88 MEN1 (0.42) KMT2AMEN1L3MBTL1LMNASLC6A4
SCHEMBL4659898 0.86 MEN1 (0.44) KMT2AMEN1L3MBTL1SLC6A4ALDH1A1
SCHEMBL4660099 0.85 KMT2A (0.47) KMT2AMEN1L3MBTL1LMNASLC6A4
SCHEMBL4660037 0.82 KDM4E (0.39) KMT2AMEN1L3MBTL1LMNAALDH1A1
SCHEMBL4661479 0.81 ALDH1A1 (0.45) KMT2AMEN1L3MBTL1ALDH1A1GAA
SCHEMBL4659893 0.81 MEN1 (0.42) KMT2AMEN1LMNAALDH1A1HSD17B10

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 KMT2A 3201/4885MEN1 4749/4885L3MBTL1 2212/4885
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 KMT2A 2695/4885MEN1 2920/4885L3MBTL1 4179/4885
US-20050004164-A1 2-Cyanopropanoic acid amide and ester derivatives and methods of their use HCAR2, PCCA, MCCC2 KMT2A 2809/4885MEN1 2575/4885L3MBTL1 4004/4885

“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.