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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9030058 | 0.98 | — | — | |
| SCHEMBL5655655 | 0.71 | CYP11B1 (0.47) | CYP11B1CYP11B2ADORA2B | |
| SCHEMBL28567623 | 0.71 | ADORA2B (0.32) | ADORA2B | |
| SCHEMBL23880198 | 0.70 | — | — | |
| SCHEMBL30461849 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL5657261 | 0.69 | CYP11B1 (0.33) | CYP11B1CYP11B2ADORA2B | |
| SCHEMBL5657481 | 0.68 | — | — | |
| SCHEMBL21785263 | 0.67 | — | — | |
| SCHEMBL1178679 | 0.67 | — | — | |
| SCHEMBL23139103 | 0.67 | CYP19A1 (0.42) | CYP19A1CYP11B1CYP11B2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6727248-B2 | N-(4-CHLOROBENZYL)-8-(3-HYDROXY-1-PROPYNYL)-1-METHYL-6-(4 -MORPHOLINYLMETHYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDE, FOR TREATING INFECTIONS BY HERPES VIRUSES | PHARMACIA & UPJOHN COMPANY | 2004-04-27 | — | — | US | disclosed |
| EP-1363887-A1 | SUBSTITUTED QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2003-11-26 | — | — | EP | disclosed |
| US-20030149035-A1 | Substituted quinolinecarboxamides as antiviral agents | VAILLANCOURT VALERIE A (US) | 2003-08-07 | — | — | US | disclosed |
| US-6544990-B2 | Substituted quinolinecarboxamides as antiviral agents | PHARMACIA & UPJOHN COMPANY | 2003-04-08 | — | — | US | disclosed |
| US-20020165253-A1 | Substituted quinolinecarboxamides as antiviral agents | PHARMACIA & UPJOHN COMPANY | 2002-11-07 | — | — | US | disclosed |
| WO-2002070487-A1 | SUBSTITUTED QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY (US) | 2002-09-12 | — | — | WO | disclosed |
| EP-0426714-B1 | ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | UPJOHN CO (US) | 1996-04-03 | — | — | EP | disclosed |
| US-5100909-A | Cholinergic antagonists, analgesics, treatment of Alzheimer*s disease | THE UPJOHN COMPANY (US) | 1992-03-31 | — | — | US | disclosed |
| EP-0426714-A1 | ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. | UPJOHN CO (US) | 1991-05-15 | — | — | EP | disclosed |
| WO-1990001026-A1 | ACETYLENIC IMIDAZOLES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY | THE UPJOHN COMPANY (US) | 1990-02-08 | — | — | 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-20030149035-A1 | Substituted quinolinecarboxamides as antiviral agents | ZC3HAV1, IRF3, EIF2AK2 | CYP19A1 4079/4885CYP11B1 4734/4885CYP11B2 4744/4885 |
| US-20020165253-A1 | Substituted quinolinecarboxamides as antiviral agents | ZC3HAV1, IRF3, EIF2AK2 | CYP19A1 4079/4885CYP11B1 4734/4885CYP11B2 4744/4885 |
“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.