Bromide

Bromide

SCHEMBL1109864

C[N+](C)(CCCOc1ccccc1)CCc1cnc(C(O)(c2ccccc2)C2CCCCC2)o1.[Br-]

nearest known ligand 0.39

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 8/20 0.38
CHRM1 known ✓ P11229 8/20 0.38
CHRM3 known ✓ P20309 7/20 0.38
CHRM4 known ✓ P08173 5/20 0.35
CHRM5 known ✓ P08912 5/20 0.35
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 5/20 0.38
KCNH2 Q12809 4/20 0.38
SLC6A3 Q01959 2/20 0.38
MLNR O43193 1/20 0.38
NR1I2 O75469 1/20 0.38
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL1109832 0.99 MEN1 (0.38) LMNAALDH1A1CYP3A4MAPK1HTT
SCHEMBL4743384 0.94 CHRM2 (0.39) LMNAALDH1A1CYP3A4MAPK1HTT
Bromide SCHEMBL524879 0.94 KCNH2 (0.38) LMNAALDH1A1CYP3A4MAPK1HTT
Bromide SCHEMBL524878 0.94 KCNH2 (0.38) LMNAALDH1A1CYP3A4MAPK1HTT
Bromide SCHEMBL1109805 0.94 KCNH2 (0.38) LMNAALDH1A1CYP3A4MAPK1HTT
SCHEMBL4743389 0.93 KCNH2 (0.39) LMNAALDH1A1CYP3A4MAPK1HTT
SCHEMBL4743353 0.93 KCNH2 (0.39) LMNAALDH1A1CYP3A4MAPK1HTT
SCHEMBL524278 0.93 KCNH2 (0.39) LMNAALDH1A1CYP3A4MAPK1HTT
SCHEMBL523702 0.93 KCNH2 (0.39) LMNAALDH1A1CYP3A4MAPK1HTT
SCHEMBL523703 0.93 KCNH2 (0.39) LMNAALDH1A1CYP3A4MAPK1HTT

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 4 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-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP 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.