Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 5/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL246277 | 0.88 | AAK1 (0.46) | HDAC2AAK1HDAC3HDAC1HDAC4 | |
| SCHEMBL29765467 | 0.88 | AAK1 (0.46) | HDAC2AAK1HDAC3HDAC1HDAC4 | |
| SCHEMBL38663449 | 0.86 | HDAC1 (0.48) | HDAC2AAK1HDAC3HDAC1HDAC4 | |
| SCHEMBL5556756 | 0.85 | AAK1 (0.46) | HDAC2AAK1HDAC3HDAC1TP53 | |
| SCHEMBL25316265 | 0.84 | AAK1 (0.43) | HDAC2AAK1HDAC3HDAC1HDAC4 | |
| SCHEMBL29991362 | 0.84 | GAA (0.60) | GAATP53ALDH1A1MAPTPOLB | |
| SCHEMBL4568017 | 0.84 | GAA (0.50) | F10NR1I2GAAMAPTPOLB | |
| SCHEMBL115661 | 0.84 | GAA (0.60) | GAATP53ALDH1A1MAPTPOLB | |
| SCHEMBL2227781 | 0.83 | AAK1 (0.48) | HDAC2AAK1HDAC3HDAC1GAA | |
| SCHEMBL3407965 | 0.83 | HPGD (0.49) | HDAC2AAK1HDAC3HDAC1POLB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116640124-A | Preparation method and application of 4- (7-methoxy-3, 4-dihydroquinoxaline-2 (1H) -ketone-4-yl) coumarin | 中国人民解放军新疆军区总医院 | 2023-08-25 | — | — | CN | disclosed |
| CN-111116469-A | HDAC inhibitor, preparation method, pharmaceutical composition and application thereof | 北京鑫开元医药科技有限公司 | 2020-05-08 | — | — | CN | disclosed |
| 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 | HDAC2 1081/4885AAK1 2928/4885HDAC3 1055/4885 |
“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.