Bromide

Bromide

SCHEMBL1883118

CCn1cc[n+](-c2c(C)cc(C)cc2C)c1.[Br-]

nearest known ligand 0.32

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 3)

geneUniProtsupporting neighboursconfidence
▸ PON1 P27169 2/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31

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
SCHEMBL23698419 0.98 PON1 (0.33) PON1CYP11B1CYP11B2
SCHEMBL1886280 0.92 PON1 (0.30) PON1
Bromide SCHEMBL4414529 0.87 PON1 (0.33) PON1CYP11B1CYP11B2
Bromide SCHEMBL1889460 0.86 PON1 (0.37) PON1
SCHEMBL20516566 0.85 PON1 (0.34) PON1CYP11B1CYP11B2
SCHEMBL13610231 0.85 PON1 (0.33) PON1CYP11B1CYP11B2
SCHEMBL23698469 0.84 PON1 (0.38) PON1CYP11B1CYP11B2
Iodide SCHEMBL4411984 0.84 PON1 (0.33) PON1CYP11B1CYP11B2
Bromide SCHEMBL1882253 0.83 PON1 (0.46) PON1
Bromide SCHEMBL1882151 0.82 NPC1 (0.51) PON1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PON1 2592/4885CYP11B1 436/4885CYP11B2 227/4885

“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.

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