Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bumetanide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 1.00 |
| ▸ | USP2 | O75604 | 2/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 1.00 |
| ▸ | LMNA | P02545 | 2/20 | 1.00 |
| ▸ | HPGD | P15428 | 2/20 | 1.00 |
| ▸ | HIF1A | Q16665 | 2/20 | 1.00 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 1.00 |
| ▸ | CA2 | P00918 | 1/20 | 1.00 |
| ▸ | TSHR | P16473 | 1/20 | 1.00 |
| ▸ | BLM | P54132 | 1/20 | 1.00 |
| ▸ | SLC12A2 | P55011 | 1/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 1.00 |
| ▸ | AQP1 | P29972 | 1/20 | 0.73 |
| ▸ | PTGS2 | P35354 | 16/20 | 0.70 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Bumetanide SCHEMBL27525 | 1.00 | KDM4E (1.00) | KDM4EUSP2ALDH1A1LMNAHPGD | |
| Bumetanide SCHEMBL29388271 | 1.00 | KDM4E (1.00) | KDM4EUSP2ALDH1A1LMNAHPGD | |
| Bumetanide SCHEMBL6239781 | 0.99 | KDM4E (0.98) | KDM4EUSP2ALDH1A1LMNAHPGD | |
| Bumetanide SCHEMBL251062 | 0.99 | KDM4E (0.98) | KDM4EUSP2ALDH1A1LMNAHPGD | |
| Bumetanide SCHEMBL2255359 | 0.99 | KDM4E (0.98) | KDM4EUSP2ALDH1A1LMNAHPGD | |
| Bumetanide SCHEMBL23455698 | 0.99 | KDM4E (0.98) | KDM4EUSP2ALDH1A1LMNAHPGD | |
| Bumetanide SCHEMBL28661289 | 0.99 | KDM4E (0.98) | KDM4EUSP2ALDH1A1LMNAHPGD | |
| Bumetanide SCHEMBL28549675 | 0.98 | KDM4E (0.96) | KDM4EUSP2ALDH1A1LMNAHPGD | |
| Bumetanide SCHEMBL250621 | 0.98 | KDM4E (0.96) | KDM4EUSP2ALDH1A1LMNAHPGD | |
| SCHEMBL11840406 | 0.97 | KDM4E (0.94) | KDM4EUSP2ALDH1A1LMNAHPGD |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0931065-A2 | NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES | NICOX S.A. (FR) | 1999-07-28 | — | — | EP | claimed |
| WO-1998009948-A2 | NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES | NICOX S.A. (FR) | 1998-03-12 | — | — | WO | claimed |
| US-7544711-B2 | Use of nitroderivatives in urinary incontinence | NICOX S.A. (FR) | 2009-06-09 | — | — | US | disclosed |
| US-20050101661-A1 | Use of nitroderivatives in urinary incontinence | NICOX S.A. (FR) | 2005-05-12 | — | — | US | disclosed |
| EP-1473288-A1 | Nitric ester derivatives of COX-2 inhibitors and their use for treating inflammation and cardiovascular diseases | Nicox S.A. (FR) | 2004-11-03 | — | — | EP | disclosed |
| EP-1437132-A1 | Use of nitric ester derivatives in the manufacture of a medicament for the treatment of gastrointestinal tumors | Nicox S.A (FR) | 2004-07-14 | — | — | EP | disclosed |
| US-20040082652-A1 | Nitric ester derivatives and their use in treating gastrointestinal tumors | NICOX S.A. | 2004-04-29 | — | — | US | disclosed |
| EP-0931065-A2 | NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES | NICOX S.A. (FR) | 1999-07-28 | — | — | EP | disclosed |
| WO-1998009948-A2 | NITRIC ESTER DERIVATIVES AND THEIR USE IN URINARY INCONTINENCE AND OTHER DISEASES | NICOX S.A. (FR) | 1998-03-12 | — | — | 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 (2 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-20040082652-A1 | Nitric ester derivatives and their use in treating gastrointestinal tumors | NOS1, PTGER1, NOS3 | KDM4E 3182/4885USP2 2702/4885ALDH1A1 711/4885 |
| US-20050101661-A1 | Use of nitroderivatives in urinary incontinence | NR0B1, NOX1, AKR1C1 | KDM4E 3294/4885USP2 1814/4885ALDH1A1 321/4885 |
“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.