Bromide

Bromide

SCHEMBL3847798

Br.C=CC1=C(C)N(CC(=O)c2ccccc2)CS1

nearest known ligand 0.43

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
ALDH1A1 P00352 2/20 0.43
GSK3B P49841 2/20 0.39
GSK3A P49840 1/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
HRH1 P35367 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
GRIN2B Q13224 1/20 0.37
NPC1 O15118 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL4249685 0.99 ALDH1A1 (0.41) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
Bromide SCHEMBL2954276 0.82 ALDH1A1 (0.48) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
SCHEMBL1820216 0.80 ALDH1A1 (0.46) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL33828 0.79 RAB9A (0.46) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
SCHEMBL6535191 0.77 ALDH1A1 (0.43) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
Bromide SCHEMBL2947505 0.76 ALDH1A1 (0.43) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3846709 0.76 RAB9A (0.43) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
SCHEMBL6937918 0.75 ALDH1A1 (0.41) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3845136 0.72 KMT2A (0.46) ALDH1A1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL6535060 0.71 ALDH1A1 (0.43) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2

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 39 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
US-5853703-A Preventing and reversing the formation of advanced glycosylation endproducts THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-12-29 US claimed
EP-0808163-A2 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON, INC. (US) 1997-11-26 EP claimed
WO-1996022095-A2 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC. (US) 1996-07-25 WO 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
WO-2002056836-A2 METHOD AND COMPOSITION FOR REJUVENATING HAIR, NAILS, TISSUES, CELLS AND ORGANS BY EX-VIVO OR IMMERSIVE TREATMENT FARRINGTON PHARMACEUTICALS, LLC (US) 2002-07-25 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
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 ALDH1A1 653/4885GSK3B 300/4885GSK3A 262/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 ALDH1A1 204/4885GSK3B 3019/4885GSK3A 3018/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 ALDH1A1 402/4885GSK3B 2713/4885GSK3A 2504/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 ALDH1A1 448/4885GSK3B 3150/4885GSK3A 2832/4885

“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.