Bromide

Bromide

SCHEMBL5561271

FC(F)(F)c1ccc(C[n+]2cc(-c3ccccc3)cc(N3CCOCC3)n2)cc1.[Br-]

nearest known ligand 0.46

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 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
NPSR1 Q6W5P4 4/20 0.46
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
SLC2A1 P11166 1/20 0.40
AR P10275 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIK3CA P42336 1/20 0.38
TP53 P04637 1/20 0.38
MTOR P42345 2/20 0.38
SMG1 Q96Q15 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL6017175 0.99 CNR2 (0.47) CNR2NPSR1HTTATMTDP1
Bromide SCHEMBL5560141 0.89 MAPT (0.41) CNR2NPSR1HTTGAAALDH1A1
Bromide SCHEMBL5565800 0.89 HTT (0.48) NPSR1HTTALDH1A1LMNAMAPT
Bromide SCHEMBL5560418 0.88 HTT (0.43) NPSR1HTTALDH1A1LMNAMAPT
Bromide SCHEMBL5564610 0.87 ABL1 (0.43) CNR2NPSR1HTTGAAALDH1A1
Bromide SCHEMBL5559706 0.86 MAPT (0.46) CNR2NPSR1HTTTDP1L3MBTL1
Bromide SCHEMBL5565101 0.86 HTT (0.43) NPSR1HTTL3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL5565412 0.84 ALDH1A1 (0.47) NPSR1HTTATML3MBTL1GAA
Bromide SCHEMBL5564744 0.83 CNR2 (0.44) CNR2NPSR1HTTGAASLC2A1
Bromide SCHEMBL5559363 0.81 NPSR1 (0.46) CNR2NPSR1HTTATMTDP1

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-7300932-B2 Pyrrolo[1,2-b]pyridazine derivatives JAPAN TOBACCO INC. (JP) 2007-11-27 US disclosed
US-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism TULARIK INC. (US) 2005-03-31 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 (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-20050070545-A1 For treatment or prevention of metabolic and cell proliferative diseases; modifying lipid metabolism PC, ACACB, ACAT1 CNR2 3754/4885NPSR1 4098/4885HTT 894/4885

“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.