Bromide

Bromide

SCHEMBL4915217

Br.Br.N=C(N)SCc1cc(F)ccc1Oc1cccc(Cl)c1CSC(=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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 2/20 0.38
SLC6A3 known ✓ Q01959 2/20 0.38
SLC6A4 known ✓ P31645 1/20 0.38
BACE1 P56817 1/20 0.56
IDO1 P14902 9/20 0.48
HTT P42858 4/20 0.48
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TAAR1 Q96RJ0 2/20 0.48
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
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
FXYD2 P54710 1/20 0.41
ATP1A4 Q13733 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
SCHEMBL3688095 0.99 BACE1 (0.58) BACE1IDO1HTTLMNASMN1; SMN2
Bromide SCHEMBL4439226 0.87 IDO1 (0.53) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL4441052 0.86 IDO1 (0.61) BACE1IDO1HTTLMNASMN1; SMN2
SCHEMBL3688866 0.86 IDO1 (0.54) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL4564274 0.85 IDO1 (0.56) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL4445139 0.85 IDO1 (0.48) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3688265 0.85 IDO1 (0.63) BACE1IDO1HTTLMNASMN1; SMN2
SCHEMBL3685043 0.84 IDO1 (0.55) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3682473 0.83 IDO1 (0.49) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL4445135 0.82 IDO1 (0.47) IDO1HTTLMNASMN1; SMN2TAAR1

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-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 SLC6A2 247/4885SLC6A3 233/4885SLC6A4 724/4885

“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.