Bromide

Bromide

SCHEMBL3196345

CCN(CC[N+](C)(C)C)c1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1.[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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
INSR P06213 3/20 0.44
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 3/20 0.42
APP P05067 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
RIPK1 Q13546 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PDK1 Q15118 1/20 0.39
DYRK1A Q13627 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
ALPL P05186 1/20 0.37

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 SCHEMBL3196350 1.00 MAPT (0.44) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL22853482 0.89 MAPT (0.47) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL9309167 0.89 MAPT (0.51) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL9310865 0.89 MAPT (0.51) MAPTINSRKMT2ANPC1RAB9A
Bromide SCHEMBL3185641 0.89 MAPT (0.39) MAPTINSRKMT2ANPC1RAB9A
Bromide SCHEMBL3185634 0.89 MAPT (0.39) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL2770177 0.88 MAPT (0.46) MAPTINSRKMT2ANPC1RAB9A
SCHEMBL2770179 0.88 MAPT (0.46) MAPTINSRKMT2ANPC1RAB9A
Bromide SCHEMBL3193680 0.86 MAPT (0.38) MAPTINSRKMT2ANPC1RAB9A
Bromide SCHEMBL3193685 0.86 MAPT (0.38) MAPTINSRKMT2ANPC1RAB9A

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 10 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-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
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.