Bromide

Bromide

SCHEMBL1882691

COc1ccc(CCC[n+]2cc[nH]c2)cc1.[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 15)

geneUniProtsupporting neighboursconfidence
▸ CALM1 P0DP23 2/20 0.45
▸ MAOB P27338 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA10 Q9GZZ6 1/20 0.40
▸ CHRNA9 Q9UGM1 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38

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 SCHEMBL1883010 0.83 CHRNA7 (0.46) TAAR1IGF1RALOX15CHRNA7CHRNA10
Bromide SCHEMBL1885288 0.80 CHRNA7 (0.40) MAOBTAAR1IGF1RALOX15SIGMAR1
Bromide SCHEMBL1889476 0.80 CHRNA7 (0.40) TAAR1CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL1887326 0.80 CHRNA7 (0.40) MAOBTAAR1CHRNA7CHRNA10CHRNA9
SCHEMBL5297631 0.78 SIGMAR1 (0.39) MAOBSIGMAR1CHRNA7CHRNA10CHRNA9
Hydrochloric Acid SCHEMBL20923487 0.76 SIGMAR1 (0.38) MAOBSIGMAR1CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL9661615 0.75 CALM1 (0.44) CALM1MAOBTAAR1IGF1RALOX15
Bromide SCHEMBL1886050 0.74 KCNJ1 (0.46) SIGMAR1HRH3ALDH1A1
Bromide SCHEMBL1876920 0.74 TAAR1 (0.44) TAAR1SIGMAR1HRH3
Hydrochloric Acid SCHEMBL21051230 0.71 CHRNA7 (0.44) SIGMAR1CHRNA7CHRNA10CHRNA9

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 CALM1 2608/4885MAOB 1429/4885TAAR1 183/4885

“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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