Bromide

Bromide

SCHEMBL1889463

CCCC[n+]1ccn(-c2ccc(CC)cc2)c1.[Br-]

nearest known ligand 0.45

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 4)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL12639166 0.98 ALDH1A1 (0.40) PABPC1KDM4EALDH1A1HPGD
Iodide SCHEMBL1889719 0.97 PABPC1 (0.42) PABPC1KDM4EALDH1A1HPGD
Bromide SCHEMBL1877140 0.94
Bromide SCHEMBL15992884 0.94
SCHEMBL12639175 0.92 MEN1 (0.46) KDM4E
SCHEMBL15993308 0.92 MEN1 (0.46) KDM4E
SCHEMBL15993624 0.92 MEN1 (0.46) KDM4E
Iodide SCHEMBL1883901 0.91 HTT (0.47) KDM4E
Bromide SCHEMBL1885401 0.86 KDM4E (0.48) PABPC1KDM4EALDH1A1HPGD
SCHEMBL12639143 0.84 KDM4E (0.49) PABPC1KDM4EALDH1A1HPGD

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 PABPC1 4883/4885KDM4E 4534/4885ALDH1A1 2684/4885

“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.