Bromide

Bromide

SCHEMBL3715669

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

nearest known ligand 0.38

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 1/20 0.31
SLC6A2 known ✓ P23975 1/20 0.31
SLC6A3 known ✓ Q01959 1/20 0.31
HTR1A known ✓ P08908 1/20 0.31
SNCA P37840 3/20 0.38
NOX1 Q9Y5S8 5/20 0.36
MAPT P10636 5/20 0.35
GAA P10253 4/20 0.35
TDP1 Q9NUW8 4/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MAPK1 P28482 3/20 0.34

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
Iodide SCHEMBL16496288 0.90 KDM4E (0.34) SNCANOX1MAPTGAATDP1
Bromide SCHEMBL3712204 0.88 SNCA (0.38) SNCANOX1MAPTGAATDP1
Iodide SCHEMBL16496354 0.87 TDP1 (0.36) SNCANOX1GAATDP1ALDH1A1
Bromide SCHEMBL3711404 0.87 SNCA (0.37) SNCANOX1MAPTGAATDP1
Iodide SCHEMBL3712800 0.86 SNCA (0.35) SNCANOX1MAPTGAATDP1
SCHEMBL972682 0.86 SNCA (0.46) SNCANOX1MAPTGAATDP1
Bromide SCHEMBL3714443 0.85 SNCA (0.38) SNCANOX1MAPTGAATDP1
SCHEMBL1470932 0.82 SNCA (0.40) SNCANOX1MAPTGAATDP1
SCHEMBL7044213 0.80 SNCA (0.41) SNCANOX1MAPTGAATDP1
SCHEMBL12592413 0.80 SNCA (0.43) SNCANOX1MAPTGAATDP1

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 ACHE 1759/4885SLC6A2 981/4885SLC6A3 356/4885

“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.