SCHEMBL6437295

SCHEMBL6437295

CC(C)(C)OC(=O)Nc1cc(N2CCSCC2)c(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 6/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
BCL2L2 Q92843 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
RORC P51449 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL6165734 0.91 ALDH1A1 (0.53) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL6167117 0.90 ALDH1A1 (0.55) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL6437854 0.88 ALDH1A1 (0.46) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL7142183 0.85 MAPT (0.38) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL7147535 0.85 GRM5 (0.40) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL6437824 0.84 HDAC3 (0.34) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6439266 0.84 SERPINE1 (0.42) MAPTLMNATHRBBCL2L2CYP3A4
SCHEMBL29430885 0.79 HTT (0.44) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL29430791 0.79 HTT (0.44) MAPTHTTMEN1KMT2ALMNA
SCHEMBL6162554 0.79 HTT (0.44) MAPTALDH1A1HTTMEN1KMT2A

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 MAPT 1009/4885ALDH1A1 422/4885HTT 1549/4885

“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.