SCHEMBL5563402

SCHEMBL5563402

CCc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(Cl)cc3NC(=O)OC(C)(C)C)c2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.38
SCN5A Q14524 3/20 0.37
SCN9A Q15858 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
SREBF2 Q12772 1/20 0.36
RORC P51449 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 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
SCHEMBL5556917 0.91 AAK1 (0.40) AAK1SCN5ASCN9AMEN1ALDH1A1
SCHEMBL5562668 0.91 AAK1 (0.43) AAK1SCN5ASCN9AMEN1ALDH1A1
SCHEMBL5557279 0.91 AAK1 (0.43) AAK1SCN5ASCN9AMEN1ALDH1A1
SCHEMBL5563957 0.90 SCN5A (0.38) AAK1SCN5ASCN9AMEN1ALDH1A1
SCHEMBL27615874 0.90 ALDH1A1 (0.42) SCN5ASCN9AMEN1ALDH1A1KMT2A
SCHEMBL5563534 0.90 AAK1 (0.41) AAK1KMT2APOLBSREBF2
SCHEMBL5559923 0.89 CYP17A1 (0.44) AAK1SCN5ASCN9AMEN1ALDH1A1
SCHEMBL5564494 0.89 CYP17A1 (0.44) AAK1SCN5ASCN9AMEN1ALDH1A1
SCHEMBL5558007 0.89 AAK1 (0.44) AAK1POLBSREBF2
SCHEMBL5562283 0.88 AAK1 (0.41) AAK1SCN5ASCN9AMEN1ALDH1A1

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 AAK1 2928/4885SCN5A 303/4885SCN9A 1189/4885

“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.