Bromide

Bromide

SCHEMBL4564274

Br.Br.N=C(N)SCc1cc(F)ccc1Oc1ccc(Cl)cc1CSC(=N)N

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 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.41
IDO1 P14902 10/20 0.56
HTT P42858 6/20 0.56
CYP1A2 P05177 1/20 0.46
PRMT1 Q99873 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 3/20 0.42
TAAR1 Q96RJ0 2/20 0.42
HTR2A P28223 1/20 0.41
KCNH2 Q12809 1/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ALDH3A1 P30838 1/20 0.40

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
SCHEMBL3685043 0.99 IDO1 (0.55) IDO1HTTCYP1A2PRMT1KMT2A
Bromide SCHEMBL4915451 0.94 IDO1 (0.56) IDO1HTTCYP1A2PRMT1KMT2A
SCHEMBL3688900 0.92 IDO1 (0.55) IDO1HTTCYP1A2PRMT1KMT2A
Bromide SCHEMBL4439226 0.92 IDO1 (0.53) IDO1HTTKMT2AMEN1ALDH1A1
SCHEMBL3688866 0.90 IDO1 (0.54) IDO1HTTKMT2AMEN1ALDH1A1
Bromide SCHEMBL4436445 0.88 IDO1 (0.57) IDO1HTTCYP1A2PRMT1KMT2A
Bromide SCHEMBL4445139 0.86 IDO1 (0.48) IDO1HTTKMT2AMEN1ALDH1A1
Bromide SCHEMBL4445135 0.86 IDO1 (0.47) IDO1HTTKMT2AMEN1ALDH1A1
SCHEMBL3687329 0.86 IDO1 (0.56) IDO1HTTCYP1A2PRMT1KMT2A
Bromide SCHEMBL4915217 0.85 BACE1 (0.56) IDO1HTTCYP1A2PRMT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 SLC6A4 724/4885IDO1 269/4885HTT 1363/4885

“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.