SCHEMBL5868964

SCHEMBL5868964

CC(C)(C)OC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1NC(=O)CC(=O)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.41
MKNK1 Q9BUB5 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
NFKB1 P19838 1/20 0.37
NPY1R P25929 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
BCHE P06276 2/20 0.36
CNR2 P34972 2/20 0.36
P2RY14 Q15391 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAOB P27338 4/20 0.36
CETP P11597 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34

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
SCHEMBL5869023 0.85 HDAC1 (0.42) ALDH1A1MEN1KMT2AGSK3B
SCHEMBL5868787 0.85 HDAC1 (0.42) ALDH1A1MEN1KMT2AGSK3B
SCHEMBL5869082 0.85 ALDH1A1 (0.37) HDAC2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL5869030 0.84 GSK3B (0.40) ALDH1A1SMN1; SMN2SIRT2SIRT1GSK3B
SCHEMBL5868845 0.84 ABCC9 (0.38) SIRT2SIRT1GSK3BGRM5
SCHEMBL5869064 0.83 GSK3B (0.39) HDAC2ALDH1A1SIRT2SIRT1GSK3B
SCHEMBL5869010 0.82 KCNQ4 (0.45) KDM4EALDH1A1SIRT2SIRT1GSK3B
SCHEMBL5868909 0.82 KCNQ4 (0.38) NPC1RAB9ASIRT2SIRT1GSK3B
SCHEMBL5868972 0.82 MAPK14 (0.44) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5868884 0.82 HDAC2 (0.37) HDAC2SIRT2SIRT1GSK3BGRM5

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 HDAC2 1771/4885MKNK1 3578/4885KDM4E 1763/4885
US-20050234048-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 HDAC2 1941/4885MKNK1 3433/4885KDM4E 1296/4885
US-20060148791-A1 Glutamate receptor antagonists GRM3, GRM1, GRM2 HDAC2 1941/4885MKNK1 3433/4885KDM4E 1296/4885

“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.