Bromide

Bromide

SCHEMBL3314035

Cc1ccc[n+](CCCCCc2ccc(-c3ccccc3)cc2)c1.[Br-]

nearest known ligand 0.67

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 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.66
CHRNA10 Q9GZZ6 7/20 0.66
CHRNA9 Q9UGM1 7/20 0.66
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
APAF1 O14727 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
RAD52 P43351 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL13334265 0.99 CHRNA7 (0.65) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
Bromide SCHEMBL3310835 0.91 CHRNA7 (0.60) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
SCHEMBL13334055 0.90 CHRNA7 (0.59) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
SCHEMBL4401584 0.90 CHRNA7 (0.63) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
SCHEMBL4400586 0.88 KDM4E (0.59) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
SCHEMBL5295991 0.87 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
Bromide SCHEMBL3312585 0.86 CHRNA7 (0.57) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA
Bromide SCHEMBL3313967 0.85 CHRNA7 (0.56) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
Bromide SCHEMBL3312746 0.84 LMNA (0.62) CHRNA7CHRNA10CHRNA9KDM4EALDH1A1
SCHEMBL13334231 0.84 CHRNA7 (0.56) CHRNA7CHRNA10CHRNA9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 US claimed
US-8846937-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-09-30 US claimed
US-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-05-06 US claimed
US-9550753-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-24 US disclosed
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 US disclosed
US-8846937-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-09-30 US disclosed
US-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-05-06 US disclosed
WO-2007149392-A1 MONO QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY (US) 2007-12-27 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 (2 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-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 CHRNA7 8/4885CHRNA10 4/4885CHRNA9 13/4885
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 CHRNA7 8/4885CHRNA10 4/4885CHRNA9 13/4885

“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.