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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16129430 | 0.98 | KDM4E (0.31) | CA1CA2KDM4EALDH1A1 | |
| Bromide SCHEMBL1884302 | 0.91 | CA1 (0.31) | CA1CA2 | |
| SCHEMBL12672264 | 0.89 | XDH (0.30) | — | |
| Bromide SCHEMBL1882248 | 0.87 | KDM4E (0.39) | KDM4EALDH1A1 | |
| Bromide SCHEMBL3408562 | 0.85 | HTT (0.44) | — | |
| SCHEMBL12638817 | 0.85 | KDM4E (0.40) | KDM4EALDH1A1 | |
| Bromide SCHEMBL1879502 | 0.84 | HTT (0.46) | — | |
| Bromide SCHEMBL3408580 | 0.84 | HTT (0.46) | — | |
| Bromide SCHEMBL3405555 | 0.84 | HTT (0.46) | — | |
| Bromide SCHEMBL3406617 | 0.84 | HTT (0.46) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9822139-B2 | Pharmaceutical composition containing cyclometalated N-heterocyclic carbene complexes for cancer treatment | THE UNIVERSITY OF HONG KONG (HK) | 2017-11-21 | — | — | US | disclosed |
| EP-2493896-B1 | PHARMACEUTICAL COMPOSITION CONTAINING CYCLOMETALATED N-HETEROCYCLIC CARBENE COMPLEXES FOR CANCER TREATMENT | UNIV HONG KONG (CN) | 2017-04-26 | — | — | EP | disclosed |
| US-20130324511-A1 | PHARMACEUTICAL COMPOSITION CONTAINING CYCLOMETALATED N-HETEROCYCLIC CARBENE COMPLEXES FOR CANCER TREATMENT | THE UNIVERSITY OF HONG KONG (HK) | 2013-12-05 | — | — | US | disclosed |
| US-8530659-B2 | Pharmaceutical composition containing cyclometalated N-heterocyclic carbene complexes for cancer treatment | THE UNIVERSITY OF HONG KONG (HK) | 2013-09-10 | — | — | US | disclosed |
| EP-2493896-A1 | PHARMACEUTICAL COMPOSITION CONTAINING CYCLOMETALATED N-HETEROCYCLIC CARBENE COMPLEXES FOR CANCER TREATMENT | The University of Hong Kong (CN) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011050574-A1 | PHARMACEUTICAL COMPOSITION CONTAINING CYCLOMETALATED N-HETEROCYCLIC CARBENE COMPLEXES FOR CANCER TREATMENT | THE UNIVERSITY OF HONG KONG (CN) | 2011-05-05 | — | — | WO | disclosed |
| US-20110098264-A1 | PHARMACEUTICAL COMPOSITION CONTAINING CYCLOMETALATED N-HETEROCYCLIC CARBENE COMPLEXES FOR CANCER TREATMENT | THE UNIVERSITY OF HONG KONG (HK) | 2011-04-28 | — | — | 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 (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-20130324511-A1 | PHARMACEUTICAL COMPOSITION CONTAINING CYCLOMETALATED N-HETEROCYCLIC CARBENE COMPLEXES FOR CANCER TREATMENT | TOP1, TOP2B, TOP2A | CA1 252/4885CA2 427/4885KDM4E 3078/4885 |
| US-20110098264-A1 | PHARMACEUTICAL COMPOSITION CONTAINING CYCLOMETALATED N-HETEROCYCLIC CARBENE COMPLEXES FOR CANCER TREATMENT | TOP1, TOP2B, TOP2A | CA1 252/4885CA2 427/4885KDM4E 3078/4885 |
“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.