Bromide

Bromide

SCHEMBL5581074

CC(C)[n+]1cccc(NC=O)c1.[Br-]

nearest known ligand 0.44

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 10)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.31
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.36
RAD52 P43351 1/20 0.36
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
Iodide SCHEMBL5581954 0.97 ALDH1A1 (0.44) ALDH1A1MAPTRAD52LMNAMEN1
Iodide SCHEMBL5581997 0.80 ALDH1A1 (0.46) ALDH1A1MAPTRAD52LMNAMEN1
SCHEMBL16917045 0.74 TDP1 (0.50) ALDH1A1MAPTRAD52LMNAMEN1
Iodide SCHEMBL5581565 0.73 ALDH1A1 (0.48) ALDH1A1LMNAACHESMN1; SMN2
SCHEMBL14866418 0.71 ALDH1A1 (0.51) ALDH1A1MAPTRAD52LMNAMEN1
SCHEMBL9478010 0.71 ALDH1A1 (0.50) ALDH1A1LMNAACHE
Bromide SCHEMBL5581090 0.70 ACHE (0.48) ALDH1A1ACHE
Iodide SCHEMBL5581936 0.69 ALDH1A1 (0.44) ALDH1A1LMNAACHE
Iodide SCHEMBL5581355 0.67 ACHE (0.44) ALDH1A1ACHE
Bromide SCHEMBL5581061 0.66 ACHE (0.53) ALDH1A1LMNAACHEHTTSMN1; SMN2

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 4315/4885ALDH1A1 1498/4885MAPT 4009/4885
US-20030086933-A1 Therapeutic systems NQO2, NQO1, NAPRT ACHE 4315/4885ALDH1A1 1498/4885MAPT 4009/4885

“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.