SCHEMBL6433675

SCHEMBL6433675

CC(C)(C)OC(=O)Nc1ccc(-n2cccc2)cc1NC(=O)CC(=O)c1cccc(-n2ccnn2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 12/20 0.38
CASP6 P55212 5/20 0.38
CTDSP1 Q9GZU7 4/20 0.38
MCL1 Q07820 2/20 0.38
TDP1 Q9NUW8 4/20 0.36
APOBEC3A P31941 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
CASP7 P55210 1/20 0.36
NOTUM Q6P988 3/20 0.36
AOC2 O75106 1/20 0.36
DNMT1 P26358 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
CASP8 Q14790 1/20 0.35
PSMD14 O00487 1/20 0.34
MMP2 P08253 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL6434658 0.87 L3MBTL1 (0.45) L3MBTL1CASP6CTDSP1MCL1TDP1
SCHEMBL5869106 0.86 CYP17A1 (0.41) NOTUM
SCHEMBL5868947 0.84 KCNQ4 (0.40) NOTUM
SCHEMBL5868872 0.84 CYP3A4 (0.40) NOTUM
SCHEMBL6434623 0.83 NOTUM (0.39) L3MBTL1NOTUMPOLB
SCHEMBL5868820 0.83 CYP17A1 (0.37) NOTUM
SCHEMBL5558256 0.83 NPC1 (0.37) L3MBTL1
SCHEMBL5868803 0.82 KEAP1 (0.37) NOTUMTP53
SCHEMBL5868991 0.82 KEAP1 (0.37) NOTUM
SCHEMBL6437848 0.82 NOTUM (0.43) L3MBTL1NOTUMPOLB

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 L3MBTL1 3136/4885CASP6 4257/4885CTDSP1 3375/4885

“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.