Bromide

Bromide

SCHEMBL2813893

Br.Br.COc1c(CNC(=N)S)cc(C)cc1CNC(=N)S

nearest known ligand 0.34

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 17)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 3/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
MAPK1 P28482 1/20 0.31
CRHR2 Q13324 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL2816463 0.98 ACHE (0.35) ACHESMN1; SMN2MAPTPOLBLMNA
Bromide SCHEMBL2813570 0.81 AMY1A (0.38) ACHESMN1; SMN2NPC1RAB9AGAA
SCHEMBL2810768 0.79 AMY1A (0.39) ACHESMN1; SMN2MAPTALDH1A1NPC1
Bromide SCHEMBL2810233 0.73 PGK1 (0.35) SMN1; SMN2MAPTPOLBLMNAALOX12
SCHEMBL2809272 0.71 PGK1 (0.36) SMN1; SMN2MAPTKMT2AALDH1A1NPC1
SCHEMBL2809139 0.71 PGK1 (0.36) SMN1; SMN2MAPTPOLBLMNAALOX12
Hydrochloric Acid SCHEMBL2807752 0.69 PGK1 (0.35) SMN1; SMN2MAPTNPC1RAB9A
Bromide SCHEMBL2816388 0.69 TACR1 (0.42) SMN1; SMN2KMT2AALDH1A1TSHR
Bromide SCHEMBL2813445 0.68 HPGD (0.36) MAPTLMNAALOX12KMT2AALDH1A1
SCHEMBL2809413 0.68 ALDH1A1 (0.50) POLBKMT2AALDH1A1

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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH ACHE 4668/4885SMN1; SMN2 2035/4885MAPT 323/4885

“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.