SCHEMBL6433734

SCHEMBL6433734

CC(C)(C)OC(=O)Nc1ccc(-n2cccc2)cc1NC(=O)CC(=O)c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.38
L3MBTL1 Q9Y468 5/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RORC P51449 4/20 0.36
CASP6 P55212 2/20 0.36
MCL1 Q07820 2/20 0.36
CTDSP1 Q9GZU7 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
GRM5 P41594 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD2 P14416 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
SCHEMBL6433579 0.85 KMT2A (0.39) GSK3BRORCSIRT2SIRT1MEN1
SCHEMBL5869052 0.85 GSK3B (0.41) GSK3BRORCSIRT2SIRT1KCNQ4
SCHEMBL14753361 0.85 GSK3B (0.44) GSK3BRORCSIRT2SIRT1KCNQ4
SCHEMBL5869030 0.84 GSK3B (0.40) GSK3BRORCSIRT2SIRT1KCNQ4
SCHEMBL5868814 0.83 PTGES (0.41) GSK3BSIRT2SIRT1MEN1KMT2A
SCHEMBL5869023 0.83 HDAC1 (0.42) GSK3BMEN1KMT2A
SCHEMBL5868789 0.83 GSK3B (0.40) GSK3BRORCSIRT2SIRT1KCNQ4
SCHEMBL5868787 0.83 HDAC1 (0.42) GSK3BMEN1KMT2A
SCHEMBL5869047 0.83 VNN1 (0.43) GSK3BMEN1KMT2A
SCHEMBL5869064 0.83 GSK3B (0.39) GSK3BRORCSIRT2SIRT1KCNQ4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379522-B1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I HOFFMANN LA ROCHE (CH) 2005-01-26 EP disclosed
EP-1379522-A1 DIHYDRO-BENZO(b)(1,4)DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6548495-B2 Metabotropic glutamate receptor agonist for treatment or prevention of acute and/or chronic neurological disorders HOFFMANN-LA ROCHE INC. 2003-04-15 US disclosed
US-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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 (1 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-20020198197-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives BDKRB1, BDKRB2, GRIN1 GSK3B 1356/4885L3MBTL1 3136/4885POLB 3730/4885

“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.