Bromide

Bromide

SCHEMBL3185641

CCN(CC[N+](C)(C)C)c1ccc(N=Nc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3s2)cc1.[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
MAPT P10636 11/20 0.39
INSR P06213 3/20 0.39
KMT2A Q03164 7/20 0.38
L3MBTL1 Q9Y468 5/20 0.38
MEN1 O00255 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
APP P05067 1/20 0.38
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
LMNA P02545 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35

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 SCHEMBL3185634 1.00 MAPT (0.39) MAPTINSRKMT2AL3MBTL1MEN1
Bromide SCHEMBL3196345 0.89 MAPT (0.44) MAPTINSRKMT2AL3MBTL1MEN1
Bromide SCHEMBL3196350 0.89 MAPT (0.44) MAPTINSRKMT2AL3MBTL1MEN1
Bromide SCHEMBL3192825 0.85 MAPT (0.36) MAPTINSRKMT2AL3MBTL1MEN1
Bromide SCHEMBL3192822 0.85 MAPT (0.36) MAPTINSRKMT2AL3MBTL1MEN1
SCHEMBL5570983 0.84 MAPT (0.36) MAPTINSRKMT2AL3MBTL1MEN1
SCHEMBL5570977 0.84 MAPT (0.36) MAPTINSRKMT2AL3MBTL1MEN1
Bromide SCHEMBL2771594 0.81 MAPT (0.37) MAPTINSRKMT2AL3MBTL1MEN1
Bromide SCHEMBL2770156 0.81 MAPT (0.37) MAPTINSRKMT2AL3MBTL1MEN1
Bromide SCHEMBL3193685 0.81 MAPT (0.38) MAPTINSRKMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7658771-B2 Coloring agents for keratin fibers THE PROCTER & GABLE COMPANY (US) 2010-02-09 US claimed
US-20090158532-A1 For the simultaneous lightening and coloring of keratin fibers; oxidizing agent and azo dye such as 2-[{4-[(4,5-dimethyl-1,3-thiazol-2-yl) diazenyl ]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium bromide WELLA OPERATIONS US, LLC 2009-06-25 US claimed
US-7513917-B2 Coloring agents for keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US claimed
US-20070199161-A1 Coloring agents for keratin fibers WELLA OPERATIONS US, LLC 2007-08-30 US claimed
WO-2007093943-A1 COLORING AGENTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO claimed
EP-1820536-A1 Coloring agents for keratin fibers Wella Aktiengesellschaft (DE) 2007-08-22 EP claimed
US-7658771-B2 Coloring agents for keratin fibers THE PROCTER & GABLE COMPANY (US) 2010-02-09 US disclosed
US-20090158532-A1 For the simultaneous lightening and coloring of keratin fibers; oxidizing agent and azo dye such as 2-[{4-[(4,5-dimethyl-1,3-thiazol-2-yl) diazenyl ]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium bromide WELLA OPERATIONS US, LLC 2009-06-25 US disclosed
US-7513917-B2 Coloring agents for keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US disclosed
US-20070199161-A1 Coloring agents for keratin fibers WELLA OPERATIONS US, LLC 2007-08-30 US disclosed
WO-2007093943-A1 COLORING AGENTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO disclosed
EP-1820536-A1 Coloring agents for keratin fibers Wella Aktiengesellschaft (DE) 2007-08-22 EP 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-20090158532-A1 For the simultaneous lightening and coloring of keratin fibers; oxidizing agent and azo dye such as 2-[{4-[(4,5-dimethyl-1,3-thiazol-2-yl) diazenyl ]phenyl}(ethyl)amino]-N,N,N-trimethylethanaminium bromide KRT18, TPM4, TUBB1 MAPT 823/4885INSR 3593/4885KMT2A 1257/4885
US-20070199161-A1 Coloring agents for keratin fibers KRT18, IK, KRTCAP2 MAPT 859/4885INSR 4089/4885KMT2A 1596/4885

“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.