Bromide

Bromide

SCHEMBL338899

C[N+]1(CCO)CCCCC1.[Br-]

nearest known ligand 0.48

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 1/20 0.37
CHRM4 known ✓ P08173 1/20 0.37
CHRM5 known ✓ P08912 1/20 0.37
CHRM1 known ✓ P11229 1/20 0.37
CHRM3 known ✓ P20309 1/20 0.37
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.46
BBOX1 O75936 2/20 0.45
SLC18A3 Q16572 1/20 0.41
LMNA P02545 4/20 0.40
KMT2A Q03164 2/20 0.40
APOBEC3A P31941 2/20 0.40
APOBEC3G Q9HC16 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SLC22A2 O15244 1/20 0.38
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
BLM P54132 1/20 0.36

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 SCHEMBL31611905 0.97 BBOX1 (0.46) KDM4ETP53BBOX1SLC18A3LMNA
SCHEMBL1920897 0.97 KDM4E (0.50) KDM4ETP53BBOX1SLC18A3LMNA
SCHEMBL10256521 0.97 KDM4E (0.50) KDM4ETP53BBOX1SLC18A3LMNA
Iodide SCHEMBL14778907 0.95 KDM4E (0.54) KDM4ETP53BBOX1SLC18A3LMNA
Hydrochloric Acid SCHEMBL6420390 0.95 BBOX1 (0.48) KDM4ETP53BBOX1SLC18A3LMNA
SCHEMBL3817323 0.95
Iodide SCHEMBL25405847 0.92 KDM4E (0.50) KDM4ETP53BBOX1SLC18A3LMNA
Hydrochloric Acid SCHEMBL9987512 0.92 BBOX1 (0.50) KDM4ETP53BBOX1SLC18A3LMNA
SCHEMBL25557911 0.89
SCHEMBL9987682 0.85 BBOX1 (0.42) KDM4ETP53BBOX1SLC18A3LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658842-B2 Process for producing ethylene glycol catalyzed by ionic liquid INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2014-02-25 US disclosed
US-20130072727-A1 PROCESS FOR PRODUCING ETHYLENE GLYCOL CATALYZED BY IONIC LIQUID INSTITUTE OF PROCESS ENGINEERING, CHINESE ACADEMY OF SCIENCES (CN) 2013-03-21 US disclosed
US-8097752-B2 Antiprotozoal ring-substituted phospholipids MAKSCIENTIFIC, LLC (US) 2012-01-17 US disclosed
EP-1578754-A4 ANTIPROTOZOAL RING-SUBSTITUTED PHOSPHOLIPIDS MAKSCIENTIFIC LLC (US) 2006-07-19 EP disclosed
US-20060105998-A1 Antiprotozoal ring-substiuted phospholipids MAK SCIENTIFIC CORPORATION (US) 2006-05-18 US disclosed
EP-1578754-A2 ANTIPROTOZOAL RING-SUBSTITUTED PHOSPHOLIPIDS MakScientific Corporation (US) 2005-09-28 EP disclosed
WO-2004041167-A2 ANTIPROTOZOAL RING-SUBSTITUTED PHOSPHOLIPIDS CALOGEROPOULOU THEODORA (GR) 2004-05-21 WO 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-20060105998-A1 Antiprotozoal ring-substiuted phospholipids PHOSPHO1, PLTP, PLA2G2C CHRM2 3490/4885CHRM4 3654/4885CHRM5 3678/4885
US-20130072727-A1 PROCESS FOR PRODUCING ETHYLENE GLYCOL CATALYZED BY IONIC LIQUID AGL, ALKBH3, ELL CHRM2 2537/4885CHRM4 2715/4885CHRM5 2935/4885

“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.