SCHEMBL6433579

SCHEMBL6433579

COc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(C#N)c2)cc1-n1cccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
GSK3B P49841 1/20 0.36
RORC P51449 5/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
LTB4R Q15722 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 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
SCHEMBL6433933 0.92 L3MBTL1 (0.36) GSK3BRORCSIRT2SIRT1ALDH1A1
SCHEMBL6433641 0.88 KMT2A (0.36) KMT2AMEN1GSK3BRORCSIRT2
SCHEMBL6433734 0.85 GSK3B (0.38) KMT2AMEN1GSK3BRORCSIRT2
SCHEMBL7142827 0.83 KMT2A (0.43) KMT2AMEN1GSK3BRORCALDH1A1
SCHEMBL7139979 0.81 ALDH1A1 (0.40) KMT2AMEN1GSK3BSIRT2SIRT1
SCHEMBL7141522 0.80 ALDH1A1 (0.42) KMT2AMEN1GSK3BSIRT2SIRT1
SCHEMBL5868814 0.79 PTGES (0.41) KMT2AMEN1GSK3BSIRT2SIRT1
SCHEMBL5869052 0.79 GSK3B (0.41) GSK3BRORCSIRT2SIRT1ALDH1A1
SCHEMBL14753361 0.79 GSK3B (0.44) GSK3BRORCSIRT2SIRT1
SCHEMBL5868942 0.79 ERCC5 (0.44) KMT2AMEN1GSK3BALDH1A1LTB4R

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 3 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
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

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 KMT2A 1451/4885MEN1 1315/4885GSK3B 1356/4885

“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.