Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | CTSS | P25774 | 4/20 | 0.39 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20680744 | 1.00 | AAK1 (0.45) | AAK1HDAC4HDAC1CTSSCTSK | |
| SCHEMBL17244394 | 1.00 | AAK1 (0.45) | AAK1HDAC4HDAC1CTSSCTSK | |
| SCHEMBL23327048 | 0.92 | AAK1 (0.46) | AAK1HDAC4HDAC1CTSSCTSK | |
| SCHEMBL17244396 | 0.92 | AAK1 (0.46) | AAK1HDAC4HDAC1CTSSCTSK | |
| SCHEMBL22853706 | 0.91 | HDAC1 (0.41) | AAK1HDAC4HDAC1CTSSCTSK | |
| SCHEMBL20473233 | 0.90 | CCR9 (0.45) | HDAC4HDAC1CTSSCTSKHDAC8 | |
| SCHEMBL19006591 | 0.90 | CCR9 (0.45) | HDAC4HDAC1CTSSCTSKHDAC8 | |
| SCHEMBL29042814 | 0.88 | AAK1 (0.44) | AAK1HDAC4HDAC1CTSSCTSK | |
| SCHEMBL20680144 | 0.88 | HDAC1 (0.47) | AAK1HDAC4HDAC1CTSSHDAC2 | |
| SCHEMBL20680143 | 0.88 | HDAC1 (0.47) | AAK1HDAC4HDAC1CTSSHDAC2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116102558-A | Novel benzodiazepine compound, preparation method and application thereof | 中国药科大学 | 2023-05-12 | — | — | CN | disclosed |
| US-11236064-B2 | Method for preparing 3-[(3S)-7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-[1,4]-benzodiazepin-3-yl] propionic acid methyl ester, and compounds useful in that method | MOEHS IBERICA S.L. (ES) | 2022-02-01 | — | — | US | 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-11236064-B2 | Method for preparing 3-[(3S)-7-bromo-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-[1,4]-benzodiazepin-3-yl] propionic acid methyl ester, and compounds useful in that method | GABRA3, GRIK5, GABRA6 | AAK1 2219/4885HDAC4 1944/4885HDAC1 2475/4885 |
“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.