SCHEMBL6437848

SCHEMBL6437848

CC(C)(C)OC(=O)Nc1cc(Cl)c(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-n2ccnn2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.43
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
RORC P51449 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
SCHEMBL6434623 0.91 NOTUM (0.39) NOTUMKMT2APOLBL3MBTL1RORC
SCHEMBL6437887 0.89 PTK2 (0.39) NOTUMMEN1KMT2APOLBL3MBTL1
SCHEMBL6164712 0.89 L3MBTL1 (0.38) NOTUMPOLBL3MBTL1RORC
SCHEMBL6436725 0.88 TSHR (0.39) NOTUMMEN1ALDH1A1KMT2APOLB
SCHEMBL6166386 0.87 NOTUM (0.38) NOTUMMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6163979 0.87 NOTUM (0.35) NOTUMPOLBL3MBTL1RORC
SCHEMBL6434069 0.86 ABL1 (0.44) MEN1ALDH1A1KMT2APOLBL3MBTL1
SCHEMBL6438740 0.86 RAB9A (0.38) MEN1ALDH1A1KMT2APOLBL3MBTL1
SCHEMBL6164277 0.86 L3MBTL1 (0.36) NOTUMMEN1ALDH1A1KMT2APOLB
SCHEMBL6166867 0.85 L3MBTL1 (0.36) NOTUMPOLBL3MBTL1RORC

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 NOTUM 3287/4885MEN1 1315/4885ALDH1A1 422/4885

“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.