Bromide

Bromide

SCHEMBL1886752

CCC[n+]1ccn(-c2ccc([N+](=O)[O-])cc2)c1.[Br-]

nearest known ligand 0.56

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 15)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.35
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
PABPC1 P11940 1/20 0.42
MAPT P10636 9/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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 SCHEMBL3409462 0.90 MEN1 (0.52) MEN1KMT2APABPC1MAPT
Bromide SCHEMBL3403147 0.90 MEN1 (0.52) MEN1KMT2APABPC1MAPT
Bromide SCHEMBL1884389 0.83 MEN1 (0.62) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL12672160 0.81 MEN1 (0.60) MEN1KMT2AMAPTLMNAL3MBTL1
Bromide SCHEMBL2526025 0.78 MEN1 (0.54) MEN1KMT2AMAPTLMNAL3MBTL1
Bromide SCHEMBL15391641 0.78 MEN1 (0.63) MEN1KMT2AMAPTLMNAL3MBTL1
Bromide SCHEMBL3409463 0.78 MEN1 (0.33) MEN1KMT2APABPC1ALDH1A1
SCHEMBL12639201 0.77 ALDH1A1 (0.40) MEN1KMT2APABPC1MAPTHTT
SCHEMBL12220235 0.77 MEN1 (0.52) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL5284684 0.76 MEN1 (0.43) MEN1KMT2APABPC1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254871-B1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS UNIV DRESDEN TECH (DE) 2016-11-09 EP disclosed
US-9260397-B2 Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2016-02-16 US disclosed
US-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof TECHNISCHE UNIVERSITAET DRESDEN (DE) 2011-05-05 US disclosed
EP-2254871-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS Technische Universität Dresden (DE) 2010-12-01 EP disclosed
WO-2009095012-A1 SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF Technische Universität Dresden (DE) 2009-08-06 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 (1 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-20110105761-A1 Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof RDX, HAX1, CHRM2 ACHE 2779/4885MEN1 2747/4885KMT2A 2958/4885

“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.