Bromide

Bromide

SCHEMBL2947503

Cc1c(CCO)sc[n+]1CC(=O)c1ccccc1.[Br-]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.64
OPRD1 P41143 1/20 0.64
MAPT P10636 8/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
PLA2G1B P04054 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
NPSR1 Q6W5P4 6/20 0.57
ALDH1A1 P00352 4/20 0.57
POLB P06746 4/20 0.57
MAPK1 P28482 2/20 0.57
LMNA P02545 3/20 0.53
TKT P29401 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CCR6 P51684 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47

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
SCHEMBL6937914 0.99 OPRM1 (0.61) OPRM1OPRD1MAPTKMT2AMEN1
SCHEMBL6535188 0.87 OPRM1 (0.58) OPRM1OPRD1MAPTKMT2AMEN1
Bromide SCHEMBL2946955 0.87 KMT2A (0.70) OPRM1OPRD1MAPTKMT2AMEN1
Bromide SCHEMBL3843860 0.87 MITF (0.57) OPRM1OPRD1MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL3846706 0.86 OPRM1 (0.57) OPRM1OPRD1MAPTKMT2AMEN1
SCHEMBL6939126 0.85 KMT2A (0.67) OPRM1OPRD1MAPTKMT2AMEN1
SCHEMBL6935005 0.85 MITF (0.55) OPRM1OPRD1MAPTKMT2AMEN1
Bromide SCHEMBL3848882 0.85 OPRM1 (0.52) OPRM1OPRD1MAPTKMT2AMEN1
Bromide SCHEMBL3844426 0.85 OPRM1 (0.53) OPRM1OPRD1MAPTKMT2AMEN1
SCHEMBL6933448 0.84 OPRM1 (0.50) OPRM1OPRD1MAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 EP claimed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US claimed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 EP claimed
EP-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP claimed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO claimed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US claimed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US claimed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO claimed
EP-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 EP claimed
US-20100310482-A1 3-Deoxyglucosone And Skin DYNAMIS THERAPEUTICS, INC. (US) 2010-12-09 US disclosed
US-7749503-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2010-07-06 US disclosed
US-7671019-B2 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. (US) 2010-03-02 US disclosed
US-7622117-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
EP-2085086-A2 Method for treating congestive heart failure or diabetic nephropathy Synvista Therapeutics, Inc. (US) 2009-08-05 EP disclosed
WO-2000003711-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2000-01-27 WO disclosed
US-6007865-A FOR INHIBITING AND REVERSING NONENZYMATIC CROSS-LINKING (PROTEIN AGING), TREATING KIDNEY DAMAGE AND TREATING COMPLICATIONS OF DIABETES, PREVENTING FOOD SPOILAGE ALTEON INC. 1999-12-28 US disclosed
US-5853703-A Preventing and reversing the formation of advanced glycosylation endproducts THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-12-29 US disclosed
EP-0808163-A2 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON, INC. (US) 1997-11-26 EP disclosed
US-5656261-A USING A THIAZOLIUM COMPOUND THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-08-12 US disclosed
WO-1996022095-A2 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC. (US) 1996-07-25 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 (4 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-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 OPRM1 4616/4885OPRD1 4868/4885MAPT 677/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 OPRM1 4714/4885OPRD1 4440/4885MAPT 3453/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 OPRM1 4714/4885OPRD1 4440/4885MAPT 3453/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE OPRM1 4800/4885OPRD1 4848/4885MAPT 2715/4885

“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.