Bromide

Bromide

SCHEMBL6813609

Br.[Zn]c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.69

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 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.69
SMN1; SMN2 Q16637 2/20 0.59
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
NOS2 P35228 1/20 0.55
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
KCNJ1 P48048 1/20 0.54
CYP2A13 Q16696 3/20 0.51
HIF1A Q16665 2/20 0.50
EPAS1 Q99814 2/20 0.50
HPGD P15428 1/20 0.50
NCF1 P14598 1/20 0.49
AOC3 Q16853 1/20 0.48
AKR1C3 P42330 1/20 0.47

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
SCHEMBL15467001 0.88 HRH3 (0.87) HRH3SMN1; SMN2NOS3NOS1NOS2
Bromide SCHEMBL7067746 0.82 HRH3 (0.71) HRH3SMN1; SMN2ALDH1A1NCF1
Bromide SCHEMBL27778714 0.81 HRH3 (0.69) HRH3SMN1; SMN2NOS3NOS1NOS2
4-(4-Chlorobenzyl)Morpholine SCHEMBL4103722 0.80 HRH3 (0.74) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
Bromide SCHEMBL6813702 0.80 HRH3 (0.75) HRH3SMN1; SMN2ALDH1A1NCF1
SCHEMBL13362301 0.80 HRH3 (0.74) HRH3SMN1; SMN2NOS3NOS1NOS2
Bromide SCHEMBL6818242 0.79 NCF1 (0.64) HRH3SMN1; SMN2NOS1ALDH1A1CYP2A13
SCHEMBL19068966 0.78 HRH3 (0.71) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL254624 0.78 HIF1A (0.73) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL22711526 0.78 HRH3 (0.71) HRH3SMN1; SMN2NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224364-A1 Organo-zinc compounds RIEKE METALS, INC. 2004-11-11 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-20040224364-A1 Organo-zinc compounds ZFX, CXXC5, CXXC4 HRH3 2675/4885SMN1; SMN2 3620/4885NOS3 2867/4885

“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.