Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.39 |
| ▸ | HPSE | Q9Y251 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20250842 | 0.99 | HDAC6 (0.43) | HDAC6ESR1ESR2PTPN2PTPN1 | |
| SCHEMBL3666752 | 0.77 | F2 (0.49) | PTPN2PTPN1PTPN5SMN1; SMN2KDM4E | |
| SCHEMBL699617 | 0.74 | NPC1 (0.58) | HDAC6ESR1ESR2PTPN2PTPN1 | |
| Hydrochloric Acid SCHEMBL11545204 | 0.71 | ALDH1A1 (0.55) | SMN1; SMN2TP53KDM4ENPC1ALDH1A1 | |
| SCHEMBL17984874 | 0.66 | HDAC6 (0.52) | HDAC6ESR1ESR2SMN1; SMN2TP53 | |
| Bromide SCHEMBL19664819 | 0.64 | MGLL (0.42) | HDAC6KDM4ENPC1ALDH1A1 | |
| SCHEMBL11697224 | 0.63 | NPC1 (0.59) | ESR1ESR2PTPN2PTPN1PTPN5 | |
| SCHEMBL12997099 | 0.63 | NPC1 (0.62) | ESR1ESR2PTPN2PTPN1PTPN5 | |
| SCHEMBL16215311 | 0.63 | NPC1 (0.64) | HDAC6ESR1ESR2SMN1; SMN2CASP3 | |
| SCHEMBL11696502 | 0.63 | NPC1 (0.50) | ESR1ESR2PTPN2PTPN1PTPN5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10227362-B2 | Anti-pulmonary tuberculosis nitroimidazole derivative | MEDSHINE DISCOVERY INC. (CN) | 2019-03-12 | — | — | US | disclosed |
| US-20180162878-A1 | ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE | MEDSHINE DISCOVERY INC. (CN) | 2018-06-14 | — | — | US | disclosed |
| EP-3252059-A1 | ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE | Medshine Discovery Inc. (CN) | 2017-12-06 | — | — | 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 (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-20180162878-A1 | ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE | NDUFV1, NDUFV2, MT-ND4 | HDAC6 203/4885ESR1 4541/4885ESR2 3511/4885 |
| US-10227362-B2 | Anti-pulmonary tuberculosis nitroimidazole derivative | NDUFV1, NDUFV2, MT-ND4 | HDAC6 203/4885ESR1 4541/4885ESR2 3511/4885 |
“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.