Bromide

Bromide

SCHEMBL2532409

Br.Brc1ccc(CN2C=CN(Cc3ccccc3)C2)cc1

nearest known ligand 0.46

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 2/20 0.46
SIGMAR1 known ✓ Q99720 2/20 0.41
BCHE P06276 2/20 0.46
BACE1 P56817 2/20 0.46
ALDH1A1 P00352 4/20 0.44
RORC P51449 3/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GALR3 O60755 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL12220164 0.98 BCHE (0.47) BCHEACHEBACE1ALDH1A1RORC
Bromide SCHEMBL2530199 0.92 KDM4E (0.46) BCHEACHEBACE1ALDH1A1RORC
SCHEMBL12220123 0.90 KDM4E (0.47) BCHEACHEBACE1ALDH1A1RORC
Bromide SCHEMBL1046639 0.88 SIGMAR1 (0.50) ALDH1A1LMNASIGMAR1KDM4EF2
SCHEMBL1044027 0.86 SIGMAR1 (0.52) ALDH1A1LMNASIGMAR1KDM4EF2
Hydrochloric Acid SCHEMBL9343069 0.84 SIGMAR1 (0.50) ALDH1A1LMNASIGMAR1KDM4EF2
Bromide SCHEMBL2535732 0.84 KMT2A (0.50) ACHEKMT2A
SCHEMBL12220217 0.82 KMT2A (0.51) ACHEKMT2A
SCHEMBL2215754 0.79 LMNA (0.61) BCHEACHEBACE1ALDH1A1LMNA
Bromide SCHEMBL2535023 0.78 SMN1; SMN2 (0.54) HPGDCYP11B1CYP11B2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632914-B2 Triazolium and imidazolium salts and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2014-01-21 US disclosed
US-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2011-10-20 US disclosed
WO-2010025558-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF AS ANTIMALARIALS UNIVERSITY HAEALTH NETWORK (CA) 2010-03-11 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 (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-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF ARG2, ARG1, CIT ACHE 2517/4885SIGMAR1 209/4885BCHE 2571/4885

“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.