SCHEMBL5562452

SCHEMBL5562452

CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-c2cccnc2C2CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR2 P41597 6/20 0.38
KCNH2 Q12809 1/20 0.38
UGCG Q16739 1/20 0.37
CHRM3 P20309 5/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL27615948 0.89 ALDH1A1 (0.45) MEN1ALDH1A1KMT2ACCR2KCNH2
SCHEMBL5563152 0.89 SCN9A (0.39) CCR2KCNH2UGCGSCN5ASCN9A
SCHEMBL5562922 0.88 SCN5A (0.44) MEN1ALDH1A1KMT2ACCR2UGCG
SCHEMBL5562751 0.88 MEN1 (0.40) MEN1ALDH1A1KMT2ACCR2KCNH2
SCHEMBL5563385 0.87 SCN5A (0.37) UGCGSCN5ASCN9A
SCHEMBL5563214 0.85 CCR2 (0.40) MEN1ALDH1A1KMT2ACCR2KCNH2
SCHEMBL5557453 0.85 CCR2 (0.41) MEN1ALDH1A1KMT2ACCR2UGCG
SCHEMBL5563087 0.84 ALDH1A1 (0.47) MEN1ALDH1A1KMT2ACCR2RXFP1
SCHEMBL5556798 0.84 MEN1 (0.40) MEN1ALDH1A1KMT2ACCR2KCNH2
SCHEMBL5563478 0.83 MEN1 (0.41) MEN1ALDH1A1KMT2ACCR2UGCG

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-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
EP-1474416-A1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US disclosed
WO-2003066623-A1 DIHYDROBENZODIAZEPIN-2-ONE DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 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-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 MEN1 1739/4885ALDH1A1 314/4885KMT2A 1661/4885

“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.