Bromide

Bromide

SCHEMBL3846880

COc1cccc(C(=O)C[n+]2csc(CCO)c2C)c1.[Br-]

nearest known ligand 0.50

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 0.50
CHRM2 known ✓ P08172 1/20 0.40
CHRM1 known ✓ P11229 1/20 0.40
CHRM3 known ✓ P20309 1/20 0.40
POLB P06746 3/20 0.50
OPRD1 P41143 1/20 0.50
MAPT P10636 9/20 0.48
KDM4E B2RXH2 2/20 0.48
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 6/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
LMNA P02545 2/20 0.45
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6103657 0.99 POLB (0.48) POLBOPRM1OPRD1MAPTKDM4E
Bromide SCHEMBL3844426 0.86 OPRM1 (0.53) POLBOPRM1OPRD1MAPTKDM4E
SCHEMBL6935373 0.85 OPRM1 (0.52) POLBOPRM1OPRD1MAPTKDM4E
Bromide SCHEMBL2947503 0.83 OPRM1 (0.64) POLBOPRM1OPRD1MAPTKDM4E
SCHEMBL6937914 0.82 OPRM1 (0.61) POLBOPRM1OPRD1MAPTKDM4E
Bromide SCHEMBL3848882 0.82 OPRM1 (0.52) POLBOPRM1OPRD1MAPTKDM4E
SCHEMBL6933448 0.81 OPRM1 (0.50) POLBOPRM1OPRD1MAPTKDM4E
SCHEMBL6938638 0.78 TKT (0.54) LMNA
Hydrochloric Acid SCHEMBL3848578 0.77 TKT (0.53) ALDH1A1LMNA
Bromide SCHEMBL2946955 0.76 KMT2A (0.70) POLBOPRM1OPRD1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2085086-A2 Method for treating congestive heart failure or diabetic nephropathy Synvista Therapeutics, Inc. (US) 2009-08-05 EP disclosed
US-20090124674-A1 Method for treating congestive heart failure SYNVISTA THERAPEUTICS, INC. (US) 2009-05-14 US disclosed
US-20090124673-A1 Method for treating diabetic nephropathy SYNVISTA THERAPEUTICS , INC. (US) 2009-05-14 US disclosed
WO-2009051804-A1 THIAZOLIUM COMPOUNDS FOR TREATING OR PREVENTING DISEASES ASSOCIATED WITH INSULIN RESISTANCE SYNVISTA THERAPEUTICS, INC. (US) 2009-04-23 WO disclosed
WO-2009042213-A1 METHODS OF TREATING OR PREVENTING CARDIAC DISEASE ASSOCIATED WITH A HIGH FAT DIET SYNVISTA THERAPEUTICS, INC. (US) 2009-04-02 WO disclosed
US-20090088461-A1 Methods of Treating or Preventing Cardiac Disease Associated With a High Fat Diet SYNVISTA THERAPEUTICS, INC. (US) 2009-04-02 US disclosed
WO-2009023207-A1 THIAZOLIUM COMPOUNDS FOR TREATING GASTROINTESTINAL COMPLICATIONS SYNVISTA THERAPEUTICS, INC. (US) 2009-02-19 WO disclosed
US-7432254-B2 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7384625-B2 Method and composition for rejuvenating hair, nails, tissues, cells and organs by ex-vivo or immersive treatment FARINGTON PHARMACEUTICALS, LLC (US) 2008-06-10 US disclosed
WO-2002053158-A1 METHOD FOR TREATING GLAUCOMA IB ALTEON, INC. (US) 2002-07-11 WO disclosed
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 US disclosed
US-6391899-B1 STROKE THERAPY; CARDIOVASCULAR DISORDERS North Shore—Long Island Jewish Research Institute 2002-05-21 US disclosed
WO-2002007725-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON, INC. (US) 2002-01-31 WO disclosed
EP-1098647-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2001-05-16 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
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-20090088461-A1 Methods of Treating or Preventing Cardiac Disease Associated With a High Fat Diet FABP3, TXNRD2, PPARD OPRM1 3618/4885CHRM2 2447/4885CHRM1 2421/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 OPRM1 3255/4885CHRM2 669/4885CHRM1 1237/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 OPRM1 1647/4885CHRM2 1287/4885CHRM1 2185/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 OPRM1 1579/4885CHRM2 552/4885CHRM1 768/4885

“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.