Bromide

Bromide

SCHEMBL4166299

Br.Br.N=C(N)SCc1cccc2c1sc1c(CSC(=N)N)cccc12

nearest known ligand 0.61

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
HTT P42858 5/20 0.61
HPGD P15428 2/20 0.61
SLC11A2 P49281 2/20 0.59
IDO1 P14902 9/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TAAR1 Q96RJ0 3/20 0.51
LMNA P02545 2/20 0.51
NOS1 P29475 2/20 0.46
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
TP53 P04637 2/20 0.45
HIF1A Q16665 1/20 0.45
CYP2C19 P33261 1/20 0.44
STAT6 P42226 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL4019275 0.98 HTT (0.63) HTTHPGDSLC11A2IDO1SMN1; SMN2
Bromide SCHEMBL4018393 0.88 HTT (0.49) HTTHPGDSLC11A2IDO1SMN1; SMN2
Bromide SCHEMBL4016336 0.87 HTT (0.48) HTTHPGDSLC11A2IDO1SMN1; SMN2
SCHEMBL3685690 0.86 HTT (0.50) HTTHPGDSLC11A2IDO1SMN1; SMN2
SCHEMBL4168870 0.85 HTT (0.49) HTTHPGDSLC11A2IDO1SMN1; SMN2
Bromide SCHEMBL4445136 0.78 HTT (0.62) HTTHPGDSLC11A2IDO1SMN1; SMN2
Bromide SCHEMBL2810146 0.78 IDO1 (0.71) HTTHPGDSLC11A2IDO1SMN1; SMN2
SCHEMBL13779244 0.77 HTT (0.96) HTTHPGDSLC11A2IDO1SMN1; SMN2
Bromide SCHEMBL4016949 0.77 HTT (0.53) HTTHPGDSLC11A2IDO1SMN1; SMN2
Bromide SCHEMBL4161416 0.77 SLC11A2 (0.97) HTTHPGDSLC11A2IDO1SMN1; 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 HTT 583/4885HPGD 1088/4885SLC11A2 77/4885

“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.