SCHEMBL5558367

SCHEMBL5558367

CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)c(C(F)(F)F)cc1NC(=O)CC(=O)c1cccc(-c2cnccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
AAK1 Q2M2I8 10/20 0.40
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39
WNT3A P56704 1/20 0.37
UGCG Q16739 1/20 0.37
POLB P06746 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
SCHEMBL5564393 0.93 SCN5A (0.44) AAK1SCN5ASCN9A
SCHEMBL5558112 0.91 AAK1 (0.42) AAK1SCN5ASCN9AUGCG
SCHEMBL5564343 0.90 SCN9A (0.45) AAK1SCN5ASCN9AUGCGPOLB
SCHEMBL5557546 0.90 ABL1 (0.42) ABL1AAK1SCN5ASCN9AWNT3A
SCHEMBL5557288 0.90 ABL1 (0.42) ABL1AAK1SCN5ASCN9AWNT3A
SCHEMBL5557741 0.90 CYP1A2 (0.41) AAK1SCN5ASCN9AUGCG
SCHEMBL5563562 0.89 SCN5A (0.41) AAK1SCN5ASCN9A
SCHEMBL5557208 0.89 ABL1 (0.42) ABL1AAK1SCN5ASCN9AWNT3A
SCHEMBL5558526 0.89 ABL1 (0.42) ABL1AAK1SCN5ASCN9AWNT3A
SCHEMBL5556944 0.89 AAK1 (0.43) AAK1WNT3A

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 ABL1 1860/4885AAK1 2928/4885SCN5A 303/4885

“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.