Bromide

Bromide

SCHEMBL50943

Cc1cc[n+](CCC[N+](C)(C)C)cc1.[Br-].[Br-]

nearest known ligand 0.53

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 9)

geneUniProtsupporting neighboursconfidence
CHKA known ✓ P35790 3/20 0.42
ACHE known ✓ P22303 11/20 0.41
HTT P42858 1/20 0.53
BCHE P06276 10/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
APEX1 P27695 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL53084 0.98 HTT (0.55) HTTCHKAACHEBCHEKDM4E
SCHEMBL19946631 0.83 MEN1 (0.54) HTTCHKAACHEBCHEKDM4E
Hydrochloric Acid SCHEMBL29538521 0.81 MEN1 (0.52) HTTCHKAACHEBCHEKDM4E
Bromide SCHEMBL25241723 0.81 MEN1 (0.41) HTTCHKAKDM4EMEN1KMT2A
Bromide SCHEMBL50687 0.80 HTT (0.55) HTTCHKAACHEBCHEKDM4E
Bromide SCHEMBL30903821 0.80 HTT (0.78) HTTCHKAACHEBCHEMEN1
Bromide SCHEMBL26090899 0.80 HTT (0.78) HTTCHKAACHEBCHEMEN1
SCHEMBL12533280 0.79 HTT (0.77) HTTCHKAACHEBCHEKDM4E
SCHEMBL18234751 0.79 HTT (0.70) HTTCHKAACHEBCHEKDM4E
SCHEMBL25525834 0.79 TP53 (0.41) HTTCHKAACHEBCHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253592-B2 Water-soluble compounds with aggregation-induced emission characteristics THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-02-22 US disclosed
US-20200338196-A1 WATER-SOLUBLE COMPOUNDS WITH AGGREGATION-INDUCED EMISSION CHARACTERISTICS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-10-29 US disclosed
WO-2016078603-A1 AIE LUMINOGENS FOR BACTERIA IMAGING, KILLING, PHOTODYNAMIC THERAPY AND ANTIBIOTICS SCREENING, AND THEIR METHODS OF MANUFACTURING THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-05-26 WO disclosed
US-8357350-B2 Annulus fibrosus detection in intervertebral discs using molecular imaging agents GENERAL ELECTRIC COMPANY (US) 2013-01-22 US disclosed
US-8129532-B2 Amino(oligo)thiophene dyes, preparation thereof, and optical methods of use THE UNIVERSITY OF CONNECTICUT (US) 2012-03-06 US disclosed
US-20100202965-A1 ANNULUS FIBROSUS DETECTION IN INTERVERTEBRAL DISCS USING MOLECULAR IMAGING AGENTS GENERAL ELECTRIC COMPANY (US) 2010-08-12 US disclosed
US-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-02-12 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 (4 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-11253592-B2 Water-soluble compounds with aggregation-induced emission characteristics ROS1, POTEE, CD44 CHKA 3656/4885ACHE 2909/4885HTT 2134/4885
US-20200338196-A1 WATER-SOLUBLE COMPOUNDS WITH AGGREGATION-INDUCED EMISSION CHARACTERISTICS ROS1, POTEE, CD44 CHKA 3656/4885ACHE 2909/4885HTT 2134/4885
US-20090042227-A1 AMINO(OLIGO)THIOPHENE DYES, PREPARATION THEREOF, AND OPTICAL METHODS OF USE NLN, NME4, OAT CHKA 4164/4885ACHE 2187/4885HTT 1658/4885
US-20100202965-A1 ANNULUS FIBROSUS DETECTION IN INTERVERTEBRAL DISCS USING MOLECULAR IMAGING AGENTS BMP1, TMEM14C, NPPA CHKA 4508/4885ACHE 4124/4885HTT 2780/4885

“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.