Sugi Predict

Sugi Predict / Compounds / SCHEMBL6434658

SCHEMBL6434658

SCHEMBL6434658

CC(C)(C)OC(=O)Nc1ccc(-n2cccc2)cc1NC(=O)CC(=O)c1cccc(-n2ccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 9/20 0.45
▸ ABL1 P00519 1/20 0.43
▸ HDAC1 Q13547 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CASP6 P55212 4/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ CTDSP1 Q9GZU7 2/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ APOBEC3A P31941 2/20 0.37
▸ APOBEC3G Q9HC16 2/20 0.37
▸ DNMT1 P26358 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
SCHEMBL5869001 0.89 PORCN (0.42) L3MBTL1ABL1HDAC1PDE4APDE4B
SCHEMBL5868843 0.88 CYP17A1 (0.42) L3MBTL1ABL1PDE4APDE4BPDE4C
SCHEMBL5869022 0.88 KDM4D (0.41) L3MBTL1ABL1HDAC1PDE4APDE4B
SCHEMBL6433675 0.87 L3MBTL1 (0.38) L3MBTL1CASP6MCL1CTDSP1HTT
SCHEMBL5868770 0.87 ABL1 (0.42) L3MBTL1ABL1PDE4APDE4BPDE4C
SCHEMBL5868817 0.87 ABL1 (0.40) L3MBTL1ABL1PDE4APDE4BPDE4C
SCHEMBL5868854 0.85 ABL1 (0.41) L3MBTL1ABL1PDE4APDE4BPDE4C
SCHEMBL5868798 0.85 LMNA (0.41) L3MBTL1ABL1PDE4APDE4BPDE4C
SCHEMBL5869020 0.85 ABL1 (0.41) L3MBTL1ABL1PDE4APDE4BPDE4C
SCHEMBL6433115 0.85 ABL1 (0.45) L3MBTL1ABL1HDAC1PDE4APDE4B

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 3136/4885ABL1 2651/4885HDAC1 910/4885

“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.