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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ESRRG | P62508 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL4702158 | 1.00 | KDM4E (0.38) | KDM4EALDH1A1MAPTHSD17B10LMNA | |
| SCHEMBL6192810 | 0.99 | KDM4E (0.39) | KDM4EALDH1A1MAPTHSD17B10LMNA | |
| SCHEMBL6192812 | 0.99 | KDM4E (0.39) | KDM4EALDH1A1MAPTHSD17B10LMNA | |
| SCHEMBL4699828 | 0.88 | MTNR1A (0.34) | LMNACA1CA2GAAMTNR1A | |
| SCHEMBL4699831 | 0.88 | MTNR1A (0.34) | LMNACA1CA2GAAMTNR1A | |
| SCHEMBL4703676 | 0.86 | INSR (0.42) | ALDH1A1CA1CA2CA9HTT | |
| SCHEMBL4703678 | 0.86 | INSR (0.42) | ALDH1A1CA1CA2CA9HTT | |
| SCHEMBL4699337 | 0.84 | KMT2A (0.39) | MAPTLMNAMEN1POLBGAA | |
| SCHEMBL4699335 | 0.84 | KMT2A (0.39) | MAPTLMNAMEN1POLBGAA | |
| SCHEMBL6193870 | 0.83 | POLB (0.39) | ALDH1A1HPGDADRA1AMEN1POLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1335902-B1 | HETEROARYLACRYLOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM | SANOFI AVENTIS DEUTSCHLAND (DE) | 2008-10-08 | — | — | EP | disclosed |
| EP-1401419-A1 | BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT OF SEPTIC SHOCK AND SIRS | Aventis Pharma Deutschland GmbH (DE) | 2004-03-31 | — | — | EP | disclosed |
| EP-1335902-A1 | HETEROARYLACRYLOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM | Aventis Pharma Deutschland GmbH (DE) | 2003-08-20 | — | — | EP | disclosed |
| US-20030083385-A1 | Use of benzenesulfonyl (thioureas or ure as) for treating of septic shock or gene ralized inflammatory syndrome | GERLACH UWE (DE) | 2003-05-01 | — | — | US | disclosed |
| WO-2003000244-A1 | BENZENESULFONYL(THIO)UREAS FOR THE TREATMENT OF SEPTIC SHOCK AND SIRS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2003-01-03 | — | — | WO | disclosed |
| US-6472413-B2 | FOR THERAPY OF VAGAL DYSFUNCTION IN THE HEART, IMPROVING CARDIAC FUNCTION, THERAPY OF PERSON SUSCEPTIBLE TO CARDIAC DEATH | ADVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-10-29 | — | — | US | disclosed |
| US-20020123495-A1 | Heteroarylacryloylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2002-09-05 | — | — | US | disclosed |
| WO-2002036565-A1 | HETEROARYLACRYLOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-05-10 | — | — | 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-20020123495-A1 | Heteroarylacryloylaminoalkyl-substituted benzenesulfonamide derivatives, their preparation, their use and pharmaceutical preparations comprising them | KCNJ11, HCN3, CACNA1E | ADRA2A 191/4885ADRA2B 220/4885ADRA2C 190/4885 |
| US-20030083385-A1 | Use of benzenesulfonyl (thioureas or ure as) for treating of septic shock or gene ralized inflammatory syndrome | UTS2R, EIF2S1, TST | ADRA2A 2432/4885ADRA2B 2044/4885ADRA2C 532/4885 |
“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.