Bromide

Bromide

SCHEMBL2332371

Cc1ccc2c(ccc[n+]2Cc2ccccc2B(O)O)c1.[Br-]

nearest known ligand 0.53

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 7)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 14/20 0.51
KDM4E B2RXH2 4/20 0.53
KMT2A Q03164 3/20 0.53
BCHE P06276 11/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 2/20 0.44
LMNA P02545 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
SCHEMBL13311556 0.99 KDM4E (0.51) KDM4EKMT2AACHEBCHESMN1; SMN2
Bromide SCHEMBL2341067 0.86 ACHE (0.50) KDM4EKMT2AACHEBCHESMN1; SMN2
SCHEMBL19422741 0.84 ACHE (0.67) KDM4EKMT2AACHEBCHESMN1; SMN2
Bromide SCHEMBL2334253 0.84 ACHE (0.63) KDM4EKMT2AACHEBCHESMN1; SMN2
SCHEMBL13310844 0.82 ACHE (0.64) KDM4EKMT2AACHEBCHEMEN1
SCHEMBL12160462 0.79 KDM4E (0.50) KDM4EKMT2AACHEBCHESMN1; SMN2
Bromide SCHEMBL2336705 0.77 ACHE (0.65) KDM4EKMT2AACHEBCHESMN1; SMN2
SCHEMBL25334051 0.76 ACHE (0.67) KDM4EKMT2AACHEBCHESMN1; SMN2
Hydrochloric Acid SCHEMBL25330408 0.75 ACHE (0.65) KDM4EKMT2AACHEBCHESMN1; SMN2
SCHEMBL12201301 0.74 ATM (0.50) KDM4EKMT2AACHEBCHESMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569502-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids Geddes, Chris (US) 2013-10-29 US disclosed
US-20130210158-A1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS GEDDES, CHRIS, DR. 2013-08-15 US disclosed
US-8338602-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2012-12-25 US disclosed
EP-1644330-B1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIV MARYLAND (US) 2011-08-17 EP disclosed
US-20100297016-A1 QUARTERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS GEDDES, CHRIS, DR. 2010-11-25 US disclosed
US-7718804-B2 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2010-05-18 US disclosed
EP-1644330-A4 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIV MARYLAND BIOTECH INST (US) 2009-06-03 EP disclosed
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids GEDDES, CHRIS, DR. 2007-01-25 US disclosed
EP-1671118-A2 CYANIDE SENSING COMPOUNDS AND USES THEREOF University of Maryland Biotechnology Institute (US) 2006-06-21 EP disclosed
EP-1644330-A2 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2006-04-12 EP disclosed
WO-2005029033-A2 CYANIDE SENSING COMPOUNDS AND USES THEREOF UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2005-03-31 WO disclosed
WO-2005000109-A2 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2005-01-06 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-20100297016-A1 QUARTERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS SLC5A1, NISCH, SLC5A2 ACHE 1414/4885KDM4E 4323/4885KMT2A 4551/4885
US-20130210158-A1 QUATERNARY NITROGEN HETEROCYCLIC COMPOUNDS FOR DETECTING AQUEOUS MONOSACCHARIDES IN PHYSIOLOGICAL FLUIDS SLC5A1, NISCH, SLC5A2 ACHE 1048/4885KDM4E 4482/4885KMT2A 4298/4885
US-20070020182-A1 Quaternary nitrogen heterocyclic compounds for detecting aqueous monosaccharides in physiological fluids SLC5A1, NISCH, SLC5A2 ACHE 1048/4885KDM4E 4482/4885KMT2A 4298/4885

“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.