Bromide

Bromide

SCHEMBL861823

Br.CC1N(CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)C

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 18)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4A O75164 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TBXA2R P21731 1/20 0.33
GNRHR P30968 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
PKM P14618 1/20 0.33
RORC P51449 1/20 0.33
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL23724052 0.99 APEX1 (0.36) APEX1SMN1; SMN2POLBMEN1KDM4A
SCHEMBL1065475 0.99 APEX1 (0.36) APEX1SMN1; SMN2POLBMEN1KDM4A
SCHEMBL1067864 0.98 APEX1 (0.35) APEX1SMN1; SMN2POLBMEN1KDM4A
SCHEMBL28395116 0.90 SMN1; SMN2 (0.36) SMN1; SMN2POLBMEN1KDM4AMAPT
SCHEMBL881399 0.87 APEX1 (0.34) APEX1SMN1; SMN2POLBGAAALDH1A1
SCHEMBL1069437 0.84 SMN1; SMN2 (0.38) APEX1SMN1; SMN2POLBMEN1KDM4A
SCHEMBL6018477 0.84 MEN1 (0.35) SMN1; SMN2POLBMEN1KDM4AMAPT
Bromide SCHEMBL5458775 0.84 PTGS1 (0.39) SMN1; SMN2POLBMEN1KDM4AMAPT
Bromide SCHEMBL14843908 0.83 MDM2 (0.39) SMN1; SMN2POLBMEN1KDM4AMAPT
SCHEMBL15137506 0.83 POLB (0.32) APEX1SMN1; SMN2POLBGAARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773750-B1 FORMULATION AND METHOD OF PREPARATION GE HEALTHCARE AS (NO) 2022-04-20 EP disclosed
US-20210046195-A1 FORMULATION AND METHOD OF PREPARATION GE HEALTHCARE AS (NO) 2021-02-18 US disclosed
EP-3773750-A1 FORMULATION AND METHOD OF PREPARATION GE Healthcare AS (NO) 2021-02-17 EP disclosed
WO-2019185607-A1 FORMULATION AND METHOD OF PREPARATION GE HEALTHCARE AS (NO) 2019-10-03 WO disclosed
US-8529874-B2 Peptide imaging agents GE HEALTHCARE AS (NO) 2013-09-10 US disclosed
EP-2146749-B1 LABELLED HGF BINDING PEPTIDES FOR IMAGING GE HEALTHCARE AS (NO) 2012-03-28 EP disclosed
US-20110268660-A1 METHOD FOR DETECTING DYSPLASIA GE HEALTHCARE AS (NO) 2011-11-03 US disclosed
EP-2326352-A2 METHOD FOR DETECTING DYSPLASIA GE Healthcare AS (NO) 2011-06-01 EP disclosed
US-20100303727-A1 OPTICAL IMAGING AGENTS GE HEALTHCARE AS (NO) 2010-12-02 US disclosed
US-20100150843-A1 PEPTIDE IMAGING AGENTS GE HEALTHCARE AS (NO) 2010-06-17 US disclosed
WO-2010018230-A2 METHOD FOR DETECTING DYSPLASIA GE HEALTHCARE AS (NO) 2010-02-18 WO disclosed
EP-2148702-A2 PENTAMETHINE CYANINE DYES CARRYING AT LEAST THREE SULFONIC ACID GROUPS GE Healthcare AS (NO) 2010-02-03 EP disclosed
EP-2146749-A2 LABELLED HGF BINDING PEPTIDES FOR IMAGING GE Healthcare AS (NO) 2010-01-27 EP disclosed
WO-2008139207-A2 LABELLED HGF BINDING PEPTIDES FOR IMAGING GE HEALTHCARE AS (NO) 2008-11-20 WO disclosed
WO-2008139206-A2 OPTICAL IMAGING AGENTS GE HEALTHCARE AS (NO) 2008-11-20 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 (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-20210046195-A1 FORMULATION AND METHOD OF PREPARATION IAPP, LPXN, KIT APEX1 4505/4885SMN1; SMN2 1549/4885POLB 4565/4885
US-20100303727-A1 OPTICAL IMAGING AGENTS MSN, SIGLEC7, FABP7 APEX1 3893/4885SMN1; SMN2 1617/4885POLB 4876/4885
US-20100150843-A1 PEPTIDE IMAGING AGENTS VIP, RXFP1, GRPR APEX1 3174/4885SMN1; SMN2 3361/4885POLB 3755/4885
US-20110268660-A1 METHOD FOR DETECTING DYSPLASIA EGFR, ERBB2, ERBB3 APEX1 3518/4885SMN1; SMN2 3877/4885POLB 2988/4885

“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.