Bromide

Bromide

SCHEMBL523612

Br.Br.CCN(CC)CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

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 1)

geneUniProtsupporting neighboursconfidence
ADRB2 known ✓ P07550 20/20 1.00

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.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL1289957 1.00 ADRB2 (1.00) ADRB2
SCHEMBL29372244 0.99 ADRB2 (1.00) ADRB2
SCHEMBL186048 0.99 ADRB2 (1.00) ADRB2
Hydrochloric Acid SCHEMBL1320905 0.99 ADRB2 (0.99) ADRB2
Phosphoric Acid SCHEMBL1321143 0.97 ADRB2 (0.96) ADRB2
Sulfuric Acid SCHEMBL1322299 0.97 ADRB2 (0.95) ADRB2
Citric Acid SCHEMBL1322178 0.92 ADRB2 (0.86) ADRB2
SCHEMBL3590466 0.89 ADRB2 (0.82) ADRB2
SCHEMBL1321145 0.89 ADRB2 (0.81) ADRB2
SCHEMBL3592448 0.88 ADRB2 (1.00) ADRB2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364704-A1 Combination of beta-adrenoceptor agonist and corticosteroid AstraZeneca AB (SE) 2011-09-14 EP claimed
EP-2117542-B1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2011-08-17 EP claimed
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD. (GB) 2011-02-24 US claimed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US claimed
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA UK LIMITED (GB) 2015-05-21 US disclosed
US-8969350-B2 Pharmaceutical product comprising a p38 kinase inhibitor and a second active ingredient ASTRAZENECA AB (SE) 2015-03-03 US disclosed
EP-2624838-A1 NOVEL COMBINATIONS AstraZeneca AB (SE) 2013-08-14 EP disclosed
WO-2012046050-A1 NOVEL COMBINATIONS ASTRAZENECA AB (SE) 2012-04-12 WO disclosed
EP-2414376-A1 PHARMACEUTICAL COMPOSITION COMPRISING A STEROIDAL[3,2-C]PYRAZOLE DERIVATIVE AND A SECOND PHARMACEUTICALLY ACTIVE COMPOUND AstraZeneca AB (SE) 2012-02-08 EP disclosed
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient ASTRAZENECA UK LIMITED (GB) 2012-02-02 US disclosed
US-8058294-B2 Of N-[2-(Diethylamino)ethyl]-N-(2-{[2-(4-hydroxy-2-oxo-2,3-dihydro-1,3-benzothiazol-7-yl)ethyl]amino}ethyl)-3-[2-(1-naphthyl)ethoxy]propanamide; asthma and chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-11-15 US disclosed
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2011-10-06 US disclosed
EP-2124941-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST Argenta Discovery Limited (GB) 2009-12-02 EP disclosed
WO-2009139708-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A β2-ADRENOCEPTOR AGONIST ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
EP-2117542-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE AstraZeneca AB (SE) 2009-11-18 EP disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080249145-A1 Salts 668 ASTRAZENECA AB (SE) 2008-10-09 US disclosed
US-20080242649-A1 New Combination 665 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
WO-2008096126-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO disclosed
WO-2008096111-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 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 (7 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080249145-A1 Salts 668 DNPEP, SCN8A, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADRB2 57/4885
US-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 ADRB2 156/4885
US-20150141387-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT NR3C2, GRK4, PTGER2 ADRB2 34/4885
US-20110245293-A1 PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A ADRB2 1/4885
US-20110046191-A1 COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST ADRB2, ADRB1, ADRA2A ADRB2 1/4885
US-20080242649-A1 New Combination 665 NR3C2, PTGER2, GRK5 ADRB2 28/4885
US-20120028941-A1 Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient NR3C2, ARRB1, GRK4 ADRB2 41/4885

“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.