Bromide

Bromide

SCHEMBL4917871

Br.Br.N=C(N)SCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

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
IDO1 P14902 7/20 0.54
LMNA P02545 5/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TAAR1 Q96RJ0 2/20 0.53
MAPT P10636 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC11A2 P49281 1/20 0.45
ALPG P10696 1/20 0.43

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
Hydrochloric Acid SCHEMBL10967775 0.97 IDO1 (0.56) IDO1LMNAHTTSMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL11089104 0.83 ALDH1A1 (0.50) LMNASMN1; SMN2MAPTHPGDCYP1A2
Bromide SCHEMBL2810146 0.79 IDO1 (0.71) IDO1LMNAHTTSMN1; SMN2TAAR1
SCHEMBL3776333 0.79 IDO1 (0.63) IDO1LMNAHTTSMN1; SMN2MAPT
SCHEMBL13256322 0.78 IDO1 (0.61) IDO1LMNAHTTSMN1; SMN2TAAR1
SCHEMBL2812696 0.77 IDO1 (0.74) IDO1LMNAHTTSMN1; SMN2TAAR1
SCHEMBL6856779 0.76 ALDH1A1 (0.62) LMNAHTTSMN1; SMN2MAPTHPGD
SCHEMBL3503446 0.76 ALDH1A1 (0.62) LMNAHTTSMN1; SMN2MAPTHPGD
SCHEMBL31481622 0.76 ALDH1A1 (0.62) LMNAHTTSMN1; SMN2MAPTHPGD
Hydrochloric Acid SCHEMBL22263112 0.75 IDO1 (0.75) IDO1LMNAHTTSMN1; 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 IDO1 269/4885LMNA 1202/4885HTT 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.