Bromide

Bromide

SCHEMBL4166537

Br.Br.Cc1ccc2c(oc3c(CSC(=N)N)c(C)ccc32)c1CSC(=N)N

nearest known ligand 0.53

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
SLC11A2 P49281 2/20 0.53
TP53 P04637 2/20 0.50
CYP3A4 P08684 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HIF1A Q16665 1/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
IDO1 P14902 9/20 0.45
NOS1 P29475 3/20 0.43
ATP1A1 P05023 1/20 0.41
ATP1B1 P05026 1/20 0.41
ATP1A3 P13637 1/20 0.41
ATP1B2 P14415 1/20 0.41
ATP1A2 P50993 1/20 0.41
ATP1B3 P54709 1/20 0.41

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
SCHEMBL4169494 0.98 SLC11A2 (0.54) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
Bromide SCHEMBL4023680 0.81 SLC11A2 (0.53) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
Bromide SCHEMBL4167290 0.81 SLC11A2 (0.53) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL4173293 0.79 SLC11A2 (0.54) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL4170444 0.79 SLC11A2 (0.54) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL13908675 0.79 SLC11A2 (0.54) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
Bromide SCHEMBL4161416 0.71 SLC11A2 (0.97) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
Bromide SCHEMBL2810291 0.69 SLC11A2 (0.70) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
SCHEMBL4155854 0.69 SLC11A2 (1.00) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2
Bromide SCHEMBL4008068 0.68 SLC11A2 (0.62) SLC11A2TP53CYP3A4SMN1; SMN2CYP1A2

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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH SLC11A2 77/4885TP53 2828/4885CYP3A4 540/4885

“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.