Bromide

Bromide

SCHEMBL4163563

Br.Br.N=C(N)SCc1cc(Br)cc2c1oc1c(CSC(=N)N)cc(Br)cc12

nearest known ligand 0.56

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 0.56
ATP1A1 P05023 1/20 0.51
ATP1B1 P05026 1/20 0.51
ATP1A3 P13637 1/20 0.51
ATP1B2 P14415 1/20 0.51
ATP1A2 P50993 1/20 0.51
ATP1B3 P54709 1/20 0.51
FXYD2 P54710 1/20 0.51
ATP1A4 Q13733 1/20 0.51
IDO1 P14902 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4162281 0.98 SLC11A2 (0.58) SLC11A2ATP1A1ATP1B1ATP1A3ATP1B2
Bromide SCHEMBL4161416 0.74 SLC11A2 (0.97) SLC11A2ATP1A1ATP1B1ATP1A3ATP1B2
Bromide SCHEMBL4162322 0.74 SLC11A2 (0.74) SLC11A2ATP1A1ATP1B1ATP1A3ATP1B2
Bromide SCHEMBL22263116 0.73 IDO1 (0.62) SLC11A2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL4155854 0.72 SLC11A2 (1.00) SLC11A2IDO1SMN1; SMN2LMNAMAPT
SCHEMBL4160541 0.72 SLC11A2 (0.76) SLC11A2IDO1SMN1; SMN2LMNAMAPT
SCHEMBL22275840 0.71 SMN1; SMN2 (0.61) SLC11A2ATP1A1ATP1B1ATP1A3ATP1B2
Bromide SCHEMBL4154083 0.70 SLC11A2 (0.80) SLC11A2ATP1A1ATP1B1ATP1A3ATP1B2
Bromide SCHEMBL4023680 0.69 SLC11A2 (0.53) SLC11A2ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL3683986 0.69 ATP1A1 (0.65) SLC11A2ATP1A1ATP1B1ATP1A3ATP1B2

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 77/4885ATP1A1 1689/4885ATP1B1 1526/4885

“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.