SCHEMBL5868942

SCHEMBL5868942

COc1ccc(-c2ccc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c3cccc(C#N)c3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
VNN1 O95497 2/20 0.41
ALDH1A1 P00352 3/20 0.40
PLAU P00749 2/20 0.40
MAPK14 Q16539 1/20 0.40
MAPK1 P28482 1/20 0.39
HDAC2 Q92769 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GSK3B P49841 1/20 0.38
LTB4R Q15722 1/20 0.37
MCHR1 Q99705 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
SCHEMBL5868908 0.94 PLAU (0.45) ERCC5FEN1ALDH1A1PLAUHDAC2
SCHEMBL5869030 0.93 GSK3B (0.40) ALDH1A1PLAUGSK3B
SCHEMBL5868787 0.92 HDAC1 (0.42) ERCC5FEN1ALDH1A1PLAUKMT2A
SCHEMBL5869023 0.92 HDAC1 (0.42) ERCC5FEN1ALDH1A1PLAUKMT2A
SCHEMBL5868943 0.91 ABL1 (0.42) ALDH1A1PLAUKMT2AMEN1GSK3B
SCHEMBL5869010 0.90 KCNQ4 (0.45) VNN1ALDH1A1GSK3BMCHR1
SCHEMBL5869064 0.89 GSK3B (0.39) ALDH1A1HDAC2GSK3B
SCHEMBL7467152 0.88 ERCC5 (0.50) ERCC5FEN1VNN1ALDH1A1PLAU
SCHEMBL5868849 0.88 KCNQ4 (0.41) GSK3BMCHR1
SCHEMBL5869070 0.86 VCP (0.38) GSK3B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151098-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
US-20060148791-A1 Glutamate receptor antagonists ADAM GEO 2006-07-06 US disclosed
US-7018998-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-6960578-B2 Glutamate receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2005-11-01 US disclosed
US-20050234048-A1 Glutamate receptor antagonists ADAM GEO 2005-10-20 US disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 ERCC5 3866/4885FEN1 4330/4885VNN1 4531/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ERCC5 3821/4885FEN1 4820/4885VNN1 4565/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 ERCC5 3821/4885FEN1 4820/4885VNN1 4565/4885

“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.