Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 5/20 | 1.00 |
| ▸ | TP53 | P04637 | 3/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | MAPT | P10636 | 2/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.69 |
| ▸ | HTT | P42858 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2098874 | 1.00 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTKDM4E | |
| SCHEMBL2054563 | 1.00 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTKDM4E | |
| SCHEMBL29921819 | 1.00 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTKDM4E | |
| SCHEMBL2054559 | 1.00 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTKDM4E | |
| SCHEMBL2054562 | 1.00 | MDM2 (1.00) | MDM2TP53ALDH1A1MAPTKDM4E | |
| SCHEMBL29931625 | 0.92 | MDM2 (0.85) | MDM2TP53ALDH1A1MAPTKDM4E | |
| SCHEMBL2098559 | 0.92 | MDM2 (0.85) | MDM2TP53ALDH1A1MAPTKDM4E | |
| SCHEMBL23295997 | 0.88 | MDM2 (0.79) | MDM2TP53ALDH1A1MAPTKDM4E | |
| SCHEMBL29921785 | 0.88 | MDM2 (0.79) | MDM2TP53ALDH1A1MAPTKDM4E | |
| SCHEMBL2098547 | 0.88 | MDM2 (0.79) | MDM2TP53ALDH1A1MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-8163744-B2 | Tetrahydro-isoquinolin-1-ones for the treatment of cancer | NEXUSPHARMA, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-8163744-B2 | Tetrahydro-isoquinolin-1-ones for the treatment of cancer | NEXUSPHARMA, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-8163744-B2 | Tetrahydro-isoquinolin-1-ones for the treatment of cancer | NEXUSPHARMA, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-20090068144-A1 | TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER | NEXUSPHARMA INC. | 2009-03-12 | — | — | US | disclosed |
| US-20090068144-A1 | TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER | NEXUSPHARMA INC. | 2009-03-12 | — | — | 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-20090068144-A1 | TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER | ING2, HMGB2, NOTCH2 | MDM2 9/4885TP53 26/4885ALDH1A1 1147/4885 |
“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.