Bromide

Bromide

SCHEMBL5580703

O=CNc1ccc[n+](CCCO)c1.[Br-]

nearest known ligand 0.53

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 2)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 12/20 0.53
KDM4E B2RXH2 1/20 0.42

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
Iodide SCHEMBL5581390 0.88 ACHE (0.48) ACHEKDM4E
Bromide SCHEMBL5581090 0.81 ACHE (0.48) ACHE
SCHEMBL5582047 0.79 PABPC1 (0.47) ACHEKDM4E
SCHEMBL14337771 0.79 ACHE (0.48) ACHE
Iodide SCHEMBL5581355 0.78 ACHE (0.44) ACHE
Iodide SCHEMBL5581330 0.78 ACHE (0.48) ACHE
Iodide SCHEMBL5581993 0.75 CYP2D6 (0.51) ACHE
Iodide SCHEMBL5581936 0.74 ALDH1A1 (0.44) ACHEKDM4E
Bromide SCHEMBL5581061 0.74 ACHE (0.53) ACHE
Iodide SCHEMBL5581465 0.73 ALDH1A1 (0.42) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070166296-A1 Therapeutic Systems ENZACTA R & D LIMITED 2007-07-19 US disclosed
US-7138122-B2 Therapeutic systems ENZACTA R & D LIMITED (GB) 2006-11-21 US disclosed
EP-0988059-B8 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT PROTHERICS MOLECULAR DESIGN LT (GB) 2006-03-01 EP disclosed
EP-0988059-B1 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LTD (GB) 2005-12-07 EP disclosed
US-6867231-B1 Therapeutic systems ENZACTA R & D LIMITED (GB) 2005-03-15 US disclosed
EP-1468698-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2004-10-20 EP disclosed
US-20030086933-A1 Therapeutic systems ENZACTA R & D LIMITED 2003-05-08 US disclosed
EP-0988059-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2000-03-29 EP disclosed
WO-1998057662-A2 THERAPEUTIC SYSTEMS ENZACTA R & D LIMITED (GB) 1998-12-23 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-20070166296-A1 Therapeutic Systems NQO2, NQO1, NAPRT ACHE 4315/4885KDM4E 4052/4885
US-20030086933-A1 Therapeutic systems NQO2, NQO1, NAPRT ACHE 4315/4885KDM4E 4052/4885

“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.