Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.48 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.41 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5556871 | 0.90 | CYP17A1 (0.46) | CYP17A1AAK1AURKAHDAC3HDAC1 | |
| SCHEMBL5562523 | 0.90 | CYP17A1 (0.46) | CYP17A1AAK1AURKAHDAC3HDAC1 | |
| SCHEMBL5564494 | 0.89 | CYP17A1 (0.44) | CYP17A1AAK1ALDH1A1MEN1KMT2A | |
| SCHEMBL5559923 | 0.89 | CYP17A1 (0.44) | CYP17A1AAK1ALDH1A1MEN1KMT2A | |
| SCHEMBL5562677 | 0.88 | ALDH1A1 (0.43) | CYP17A1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL5557702 | 0.88 | CYP17A1 (0.39) | CYP17A1AAK1HDAC3HDAC1HDAC2 | |
| SCHEMBL5558422 | 0.87 | CYP17A1 (0.46) | CYP17A1AAK1RIPK3AURKAHDAC3 | |
| SCHEMBL5557524 | 0.87 | CYP17A1 (0.50) | CYP17A1AAK1AURKAKMT2AMET | |
| SCHEMBL5557260 | 0.84 | CYP17A1 (0.50) | CYP17A1AAK1AURKAHDAC3HDAC1 | |
| SCHEMBL5557461 | 0.84 | CYP17A1 (0.46) | CYP17A1AAK1ALDH1A1MEN1KMT2A |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030166639-A1 | Dihydro-benzo[b][1,4]diazepin-2-one derivatives | CYP1B1, GRIN2B, CYP4B1 | CYP17A1 942/4885AAK1 2928/4885RIPK3 4144/4885 |
“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.