Bromide

Bromide

SCHEMBL3711404

Br.CCN(CC)CCCN(CCCN(CC)CC)c1ccc2c(c1)Sc1cc(N(CCCN(CC)CC)CCCN(CC)CC)ccc1N2

nearest known ligand 0.37

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
SLC6A3 known ✓ Q01959 3/20 0.35
CHRM2 known ✓ P08172 2/20 0.35
HTR1A known ✓ P08908 2/20 0.35
SLC6A2 known ✓ P23975 2/20 0.35
SLC6A4 known ✓ P31645 2/20 0.35
ADRA1A known ✓ P35348 2/20 0.35
ADRA2A known ✓ P08913 1/20 0.35
ADRA2C known ✓ P18825 2/20 0.32
CHRM3 known ✓ P20309 1/20 0.32
HTR1D known ✓ P28221 1/20 0.32
HTR3A known ✓ P46098 1/20 0.32
SNCA P37840 2/20 0.37
MPO P05164 1/20 0.36
NOX1 Q9Y5S8 4/20 0.36
CHRM1 P11229 3/20 0.35
DRD3 P35462 3/20 0.35
OPRM1 P35372 2/20 0.35
KCNH2 Q12809 2/20 0.35
DRD1 P21728 1/20 0.35
HTT P42858 3/20 0.33

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 SCHEMBL3715669 0.87 SNCA (0.38) SNCAMPONOX1SLC6A3HTR1A
Iodide SCHEMBL16496288 0.85 KDM4E (0.34) SNCAMPONOX1HTTGAA
Bromide SCHEMBL3714202 0.85 SNCA (0.39) SNCAMPONOX1CHRM1DRD3
SCHEMBL11763196 0.85 SNCA (0.41) SNCANOX1SLC6A3SLC6A2HTT
Iodide SCHEMBL16496354 0.83 TDP1 (0.36) SNCANOX1KCNH2GAATDP1
SCHEMBL1472458 0.82 SNCA (0.39) SNCANOX1HTTGAAMAPT
SCHEMBL1472499 0.82 SNCA (0.39) SNCANOX1SLC6A3SLC6A2HTT
SCHEMBL12592413 0.82 SNCA (0.43) SNCANOX1SLC6A3SLC6A2HTT
SCHEMBL972682 0.81 SNCA (0.46) SNCANOX1SLC6A3SLC6A2HTT
SCHEMBL1472475 0.81 SNCA (0.38) SNCANOX1HTTGAAMAPT

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-20110306576-A1 COMPOUNDS AND METHODS RELATING THERETO PHARMALUCIA LIMITED (GB) 2011-12-15 US disclosed
WO-2010097626-A2 COMPOUNDS AND METHODS RELATING THERETO PHARMALUCIA LIMITED (GB) 2010-09-02 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-20110306576-A1 COMPOUNDS AND METHODS RELATING THERETO QSOX1, PYM1, SQOR SLC6A3 356/4885CHRM2 453/4885HTR1A 757/4885

“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.