Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | BCAT1 | P54687 | 5/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 2/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6405483 | 0.96 | TP53 (0.50) | TP53POLBHDAC3HDAC1BCAT1 | |
| SCHEMBL6400705 | 0.90 | TP53 (0.60) | TP53POLBHDAC3HDAC1BCAT1 | |
| SCHEMBL6401941 | 0.89 | NPC1 (0.49) | TP53POLBHDAC3HDAC1BCAT1 | |
| SCHEMBL6403704 | 0.88 | TP53 (0.49) | TP53POLBHDAC3HDAC1BCAT1 | |
| SCHEMBL6404747 | 0.83 | NPC1 (0.51) | TP53POLBHDAC3HDAC1BCAT1 | |
| SCHEMBL6404295 | 0.81 | BCAT1 (0.59) | HDAC3HDAC1BCAT1HDAC2FLT3 | |
| SCHEMBL6399035 | 0.79 | NPC1 (0.56) | TP53POLBHDAC3HDAC1BCAT1 | |
| SCHEMBL6404675 | 0.79 | TP53 (0.67) | TP53POLBHDAC3HDAC1HDAC2 | |
| SCHEMBL6401651 | 0.79 | BCAT1 (0.48) | TP53POLBHDAC3HDAC1BCAT1 | |
| SCHEMBL6402485 | 0.79 | NHERF1 (0.60) | TP53POLBHDAC3HDAC1BCAT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050054696-A1 | Indole compounds and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | claimed |
| EP-1452526-A1 | INDOLE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-09-01 | — | — | EP | claimed |
| US-20050054696-A1 | Indole compounds and medicinal use thereof | JAPAN TOBACCO INC. (JP) | 2005-03-10 | — | — | US | disclosed |
| EP-1452526-A1 | INDOLE COMPOUND AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2004-09-01 | — | — | EP | 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-20050054696-A1 | Indole compounds and medicinal use thereof | IDO1, GPR119, SLC5A1 | TP53 1043/4885POLB 4755/4885HDAC3 2153/4885 |
“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.