Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nabumetone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.91 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.91 |
| ▸ | NPC1 | O15118 | 1/20 | 0.91 |
| ▸ | LMNA | P02545 | 1/20 | 0.91 |
| ▸ | TP53 | P04637 | 1/20 | 0.91 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.91 |
| ▸ | MAPT | P10636 | 1/20 | 0.91 |
| ▸ | MAOA | P21397 | 1/20 | 0.91 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.91 |
| ▸ | RAB9A | P51151 | 1/20 | 0.91 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.91 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.91 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.56 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.52 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Nabumetone SCHEMBL29570823 | 0.95 | CYP1A2 (1.00) | CYP1A2KDM4ENPC1LMNATP53 | |
| Nabumetone SCHEMBL29373228 | 0.95 | CYP1A2 (1.00) | CYP1A2KDM4ENPC1LMNATP53 | |
| Nabumetone SCHEMBL3853067 | 0.95 | CYP1A2 (1.00) | CYP1A2KDM4ENPC1LMNATP53 | |
| Nabumetone SCHEMBL2256 | 0.95 | CYP1A2 (1.00) | CYP1A2KDM4ENPC1LMNATP53 | |
| Nabumetone SCHEMBL104942 | 0.94 | CYP1A2 (0.97) | CYP1A2KDM4ENPC1LMNATP53 | |
| Nabumetone SCHEMBL28775077 | 0.94 | CYP1A2 (0.97) | CYP1A2KDM4ENPC1LMNATP53 | |
| Nabumetone SCHEMBL23064140 | 0.92 | CYP1A2 (0.94) | CYP1A2KDM4ENPC1LMNATP53 | |
| Nabumetone SCHEMBL3362072 | 0.88 | RAB9A (0.86) | CYP1A2KDM4ENPC1LMNATP53 | |
| Nabumetone SCHEMBL2325715 | 0.87 | CYP1A2 (0.83) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL17288829 | 0.86 | CYP1A2 (0.82) | CYP1A2KDM4ENPC1LMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1223157-A1 | Use of 4-substituted 2-butanones to prepare nabumetone | HOECHST CELANESE CORPORATION (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-1223156-A1 | Use of 4-substituted 2-butanones to prepare nabumetone | HOECHST CELANESE CORPORATION (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-0892775-A2 | USE OF 4-SUBSTITUTED 2-BUTANONES TO PREPARE NABUMETONE | HOECHST CELANESE CORPORATION (US) | 1999-01-27 | — | — | EP | disclosed |
| US-5600009-A | Use of 4-substituted 2-butanones to prepare nabumetone | HOECHST CELANESE CORPORATION (US) | 1997-02-04 | — | — | US | disclosed |
| WO-1996040608-A2 | USE OF 4-SUBSTITUTED 2-BUTANONES TO PREPARE NABUMETONE | HOECHST CELANESE CORPORATION (US) | 1996-12-19 | — | — | WO | disclosed |