Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 14/20 | 0.42 |
| ▸ | XIAP | P98170 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5000220 | 1.00 | SCN9A (0.42) | SCN9AXIAPCYP3A4NAAAHDAC1 | |
| SCHEMBL8207647 | 0.82 | XIAP (0.35) | XIAPCYP3A4 | |
| SCHEMBL14093725 | 0.82 | XIAP (0.35) | XIAPCYP3A4 | |
| SCHEMBL4246920 | 0.82 | SCN9A (0.51) | SCN9AXIAPCYP3A4HDAC1HDAC6 | |
| SCHEMBL4246925 | 0.82 | SCN9A (0.51) | SCN9AXIAPCYP3A4HDAC1HDAC6 | |
| SCHEMBL4994982 | 0.81 | SCN9A (0.44) | SCN9AXIAPCYP3A4 | |
| SCHEMBL4994972 | 0.81 | SCN9A (0.44) | SCN9AXIAPCYP3A4 | |
| SCHEMBL4253609 | 0.80 | SCN9A (0.35) | SCN9A | |
| SCHEMBL8214228 | 0.80 | SCN9A (0.35) | SCN9A | |
| SCHEMBL4257988 | 0.80 | CYP3A4 (0.44) | SCN9AXIAPCYP3A4HDAC1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7414049-B2 | 4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]diazepine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-08-19 | — | — | US | disclosed |
| US-20080103133-A1 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES | HOFFMANN-LA ROCHE INC. | 2008-05-01 | — | — | 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-20080103133-A1 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[b][1,4]DIAZEPINE DERIVATIVES | BACE1, BACE2, PSEN1 | SCN9A 1371/4885XIAP 3203/4885CYP3A4 99/4885 |
“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.