Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. 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 | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 2/20 | 0.96 |
| ▸ | G6PD | P11413 | 1/20 | 0.96 |
| ▸ | CASP6 | P55212 | 1/20 | 0.96 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.58 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.58 |
| ▸ | CA4 | P22748 | 1/20 | 0.58 |
| ▸ | CA6 | P23280 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30477210 | 0.98 | CASP7 (1.00) | CASP7G6PDCASP6KDM4EALDH1A1 | |
| SCHEMBL88229 | 0.98 | CASP7 (1.00) | CASP7G6PDCASP6KDM4EALDH1A1 | |
| SCHEMBL29430959 | 0.98 | CASP7 (1.00) | CASP7G6PDCASP6KDM4EALDH1A1 | |
| SCHEMBL21114369 | 0.98 | CASP7 (1.00) | CASP7G6PDCASP6KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL8584593 | 0.96 | CASP7 (0.96) | CASP7G6PDCASP6KDM4EALDH1A1 | |
| Anthranilic Acid SCHEMBL28496828 | 0.88 | G6PD (0.81) | CASP7G6PDCASP6KDM4EALDH1A1 | |
| SCHEMBL28801869 | 0.85 | CASP7 (0.76) | CASP7G6PDCASP6KDM4EALDH1A1 | |
| SCHEMBL526919 | 0.84 | G6PD (0.74) | CASP7G6PDCASP6KDM4EALDH1A1 | |
| SCHEMBL29440830 | 0.83 | CASP7 (0.74) | CASP7G6PDCASP6KDM4EALDH1A1 | |
| SCHEMBL306867 | 0.82 | CASP7 (0.71) | CASP7G6PDCASP6KDM4EALDH1A1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8278301-B2 | 2-alkylbenzoxazole carboxamides as 5HT3 modulators | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-10-02 | — | — | US | disclosed |
| US-7863271-B2 | 2-aminobenzoxazole carboxamides as 5HT3 modulators | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-04 | — | — | US | disclosed |
| US-7781430-B2 | Benzoxazole carboxamides for treating CINV and IBS-D | ALBANY MOLECULAR RESEARCH, INC. (US) | 2010-08-24 | — | — | US | disclosed |
| US-20090227576-A1 | 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2009-09-10 | — | — | US | disclosed |
| US-7553846-B2 | 2-alkylbenzoxazole carboxamides as 5-HT3 modulators | ALBANY MOLECULAR RESEARCH, INC. (US) | 2009-06-30 | — | — | US | disclosed |
| EP-2061460-A2 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | Albany Molecular Research, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| US-20080255114-A1 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | AMR TECHNOLOGY, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| US-20080214601-A1 | 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | AMR TECHNOLOGY, INC. (US) | 2008-09-04 | — | — | US | disclosed |
| US-20080108609-A1 | Benzoxazole Carboxamides For Treating CINV and IBS-D | AMR TECHNOLOGY, INC. (US) | 2008-05-08 | — | — | US | disclosed |
| WO-2008019363-A2 | 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2008-02-14 | — | — | WO | disclosed |
| WO-2008019372-A2 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2008-02-14 | — | — | WO | disclosed |
| US-7307094-B2 | Benzoxazole carboxamides for treating CINV and IBS-D | AMR TECHNOLOGY, INC. (US) | 2007-12-11 | — | — | US | disclosed |
| EP-1853597-A1 | BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D | AMR Technology, Inc. (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006089100-A1 | BENZOXAZOLE CARBOXAMIDES FOR TREATING CINV AND IBS-D | AMR TECHNOLOGY, INC. (US) | 2006-08-24 | — | — | WO | disclosed |
| US-20060183769-A1 | Benzoxazole carboxamides for treating CINV and IBS-D | AMR TECHNOLOGY, INC. (US) | 2006-08-17 | — | — | 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 (5 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-20080108609-A1 | Benzoxazole Carboxamides For Treating CINV and IBS-D | HTR3E, BRS3, HTR3A | GRIN2A 355/4885CASP7 1387/4885G6PD 3257/4885 |
| US-20060183769-A1 | Benzoxazole carboxamides for treating CINV and IBS-D | HTR3E, BRS3, HTR3A | GRIN2A 355/4885CASP7 1387/4885G6PD 3257/4885 |
| US-20080255114-A1 | 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | HTR3E, HTR3C, HTR3A | GRIN2A 243/4885CASP7 3081/4885G6PD 2401/4885 |
| US-20090227576-A1 | 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | HTR3E, HTR3C, HTR3A | GRIN2A 175/4885CASP7 3136/4885G6PD 2427/4885 |
| US-20080214601-A1 | 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS | HTR3E, HTR3C, HTR3A | GRIN2A 175/4885CASP7 3136/4885G6PD 2427/4885 |
“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.