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Bromide

Bromide

SCHEMBL2877682

C[N+](C)(CCOCc1ccccc1)Cc1cnc([C@](O)(c2ccccc2)C2CCCCC2)o1.[Br-]

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1

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
▸ CHRM2 known ✓ P08172 14/20 0.36
▸ CHRM1 known ✓ P11229 14/20 0.36
▸ CHRM3 known ✓ P20309 13/20 0.34
▸ CHRM4 known ✓ P08173 12/20 0.33
▸ CHRM5 known ✓ P08912 12/20 0.33
▸ ACHE known ✓ P22303 2/20 0.33
▸ OPRM1 known ✓ P35372 1/20 0.33
▸ KCNH2 Q12809 4/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CYP2D6 P10635 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ APAF1 O14727 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ ERBB2 P04626 2/20 0.33
▸ TP53 P04637 2/20 0.33

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
Bromide SCHEMBL2877676 1.00 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL1109893 0.99 CHRM2 (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL1109891 0.99 CHRM2 (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4783528 0.98 LMNA (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL4739912 0.96 LMNA (0.35) CHRM2CHRM1KCNH2SLC6A3LMNA
Bromide SCHEMBL1109852 0.95 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
Bromide SCHEMBL1109853 0.95 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL1109818 0.94 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
SCHEMBL1109819 0.94 CHRM2 (0.36) CHRM2CHRM1KCNH2SLC6A3LMNA
Bromide SCHEMBL1179151 0.94 CHRM3 (0.37) CHRM2CHRM1KCNH2SLC6A3LMNA

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
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 — — US disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 — — EP disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 — — 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 (2 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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM1 3/4885CHRM3 1/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 CHRM2 12/4885CHRM1 24/4885CHRM3 1/4885

“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.