Bromide

Bromide

SCHEMBL3963512

Br.CC1=CN(CC(=O)c2ccccc2)CS1

nearest known ligand 0.46

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 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CES1 P23141 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6936500 0.98 GSK3A (0.44) GSK3AGSK3BALDH1A1MEN1KMT2A
Bromide SCHEMBL2945063 0.85 ALDH1A1 (0.45) GSK3BALDH1A1KMT2ANPC1RAB9A
SCHEMBL6938267 0.84 ALDH1A1 (0.46) GSK3BALDH1A1KMT2ARAB9AMAPT
Bromide SCHEMBL4078658 0.82 ALDH1A1 (0.42) GSK3BALDH1A1KMT2ANPC1RAB9A
Bromide SCHEMBL2954276 0.73 ALDH1A1 (0.48) GSK3AGSK3BALDH1A1MEN1KMT2A
Bromide SCHEMBL122634 0.72 ALDH1A1 (0.43) GSK3AGSK3BALDH1A1MEN1KMT2A
Bromide SCHEMBL7402289 0.72 ALDH1A1 (0.43) GSK3AGSK3BALDH1A1MEN1KMT2A
Bromide SCHEMBL6074363 0.72 ALDH1A1 (0.49) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL1820216 0.71 ALDH1A1 (0.46) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL2920557 0.70 ALDH1A1 (0.44) GSK3AGSK3BALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38330-E1 Preventing and reversing advanced glycosylation endproducts ALTEON INC. 2003-11-25 US 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-5656261-A USING A THIAZOLIUM COMPOUND THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-08-12 US claimed
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-20080132553-A1 Preventing and reversing the formation of advance glycosylation endproducts CERAMI ANTHONY 2008-06-05 US disclosed
US-20070025926-A1 Preventing and reversing the formation of advance glycosylation endproducts SYNVISTA THERAPEUTICS, INC. 2007-02-01 US disclosed
US-7022719-B2 Preventing and reversing the formation of advance glycosylation endproducts ALTEON, INC. (US) 2006-04-04 US disclosed
EP-1353669-A4 METHOD FOR TREATING GLAUCOMA IB ALTEON INC (US) 2005-10-19 EP disclosed
US-RE38330-E1 Preventing and reversing advanced glycosylation endproducts ALTEON INC. 2003-11-25 US disclosed
WO-2002053158-A1 METHOD FOR TREATING GLAUCOMA IB ALTEON, INC. (US) 2002-07-11 WO disclosed
US-6391899-B1 STROKE THERAPY; CARDIOVASCULAR DISORDERS North Shore—Long Island Jewish Research Institute 2002-05-21 US 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
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 (3 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 GSK3A 262/4885GSK3B 300/4885ALDH1A1 653/4885
US-20080132553-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA GSK3A 1466/4885GSK3B 1564/4885ALDH1A1 1576/4885
US-20070025926-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA GSK3A 1104/4885GSK3B 1229/4885ALDH1A1 1227/4885

“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.