Bromide

Bromide

SCHEMBL4167290

Br.Br.N=C(N)SCc1c(F)ccc2c1oc1c(CSC(=N)N)c(F)ccc12

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
BACE1 P56817 1/20 0.51
IDO1 P14902 13/20 0.45
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NOS1 P29475 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
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

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
SCHEMBL13908675 0.98 SLC11A2 (0.54) SLC11A2BACE1IDO1TP53CYP3A4
Bromide SCHEMBL4023680 0.81 SLC11A2 (0.53) SLC11A2BACE1IDO1TP53CYP3A4
Bromide SCHEMBL4166537 0.81 SLC11A2 (0.53) SLC11A2BACE1IDO1TP53CYP3A4
SCHEMBL4170444 0.79 SLC11A2 (0.54) SLC11A2BACE1IDO1TP53CYP3A4
SCHEMBL4173293 0.79 SLC11A2 (0.54) SLC11A2BACE1IDO1TP53CYP3A4
SCHEMBL4169494 0.79 SLC11A2 (0.54) SLC11A2BACE1IDO1TP53CYP3A4
SCHEMBL13007602 0.74 BACE1 (0.77) SLC11A2BACE1IDO1TP53CYP3A4
Bromide SCHEMBL750781 0.73 BACE1 (0.65) BACE1IDO1SMN1; SMN2NOS1CYP1A2
Hydrochloric Acid SCHEMBL2891486 0.73 BACE1 (0.75) SLC11A2BACE1IDO1TP53CYP3A4
Bromide SCHEMBL4161416 0.71 SLC11A2 (0.97) SLC11A2IDO1TP53CYP3A4SMN1; SMN2

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 77/4885BACE1 2581/4885IDO1 720/4885

“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.