Bromide

Bromide

SCHEMBL4078658

Br.CC1=CN(CC(=O)c2ccc(-c3ccc(Br)cc3)cc2)CS1

nearest known ligand 0.44

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 0.42
HAO1 Q9UJM8 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
GSK3B P49841 3/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.38
ATM Q13315 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CXCR3 P49682 1/20 0.37

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 SCHEMBL2945063 0.96 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL6938267 0.95 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
Bromide SCHEMBL3963512 0.82 GSK3A (0.43) ALDH1A1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL6936500 0.80 GSK3A (0.44) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
Bromide SCHEMBL3851561 0.71 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
Bromide SCHEMBL2947798 0.71 RAB9A (0.46) ALDH1A1HAO1MAPTSMN1; SMN2RAB9A
SCHEMBL6938200 0.70 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL6935144 0.69 GSK3B (0.44) ALDH1A1HAO1MAPTSMN1; SMN2RAB9A
Bromide SCHEMBL2956997 0.69 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2RAB9AHTT
Bromide SCHEMBL3845993 0.68 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2RAB9AHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20040034074-A1 Preventing and reversing the formation of advance glycosylation endproducts SYNVISTA THERAPEUTICS, INC. 2004-02-19 US 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 653/4885HAO1 2323/4885MAPT 2404/4885
US-20040034074-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA ALDH1A1 1227/4885HAO1 909/4885MAPT 1062/4885
US-20080132553-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA ALDH1A1 1576/4885HAO1 1048/4885MAPT 1385/4885
US-20070025926-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA ALDH1A1 1227/4885HAO1 909/4885MAPT 1062/4885

“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.