Bromide

Bromide

SCHEMBL2769478

CCN(CCn1cc[n+](C)c1)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)cc1.[Br-]

nearest known ligand 0.46

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
KDR P35968 1/20 0.46
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 4/20 0.35
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 2/20 0.33

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 SCHEMBL2769476 1.00 KDR (0.46) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL2770238 0.99 KDR (0.47) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL2770236 0.99 KDR (0.47) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
Bromide SCHEMBL2768752 0.86 NPC1 (0.33) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
Bromide SCHEMBL2768749 0.86 NPC1 (0.33) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL2771667 0.85 NPC1 (0.34) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL2771669 0.85 NPC1 (0.34) KDRMAPTL3MBTL1MAPK1SMN1; SMN2
Bromide SCHEMBL2769312 0.83 MAPT (0.38) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
Bromide SCHEMBL2769310 0.83 MAPT (0.38) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1
SCHEMBL2768898 0.82 MAPT (0.38) MAPTL3MBTL1MAPK1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1825883-B1 Agents for coloring keratin fibers PROCTER & GAMBLE (US) 2010-04-14 EP claimed
US-7658770-B2 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2010-02-09 US claimed
US-20090165221-A1 Agents for Coloring Keratin Fibers WELLA OPERATIONS US, LLC 2009-07-02 US claimed
US-7513916-B2 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US claimed
US-20070199160-A1 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY 2007-08-30 US claimed
WO-2007097930-A1 AGENTS FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-30 WO claimed
EP-1825883-A1 Agents for coloring keratin fibers Wella Aktiengesellschaft (DE) 2007-08-29 EP claimed
EP-1820537-A1 Agents for coloring keratin fibers Wella Aktiengesellschaft (DE) 2007-08-22 EP claimed
EP-1825883-B1 Agents for coloring keratin fibers PROCTER & GAMBLE (US) 2010-04-14 EP disclosed
US-7658770-B2 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2010-02-09 US disclosed
US-20090165221-A1 Agents for Coloring Keratin Fibers WELLA OPERATIONS US, LLC 2009-07-02 US disclosed
US-7513916-B2 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY (US) 2009-04-07 US disclosed
US-20070199160-A1 Agents for coloring keratin fibers THE PROCTER & GAMBLE COMPANY 2007-08-30 US disclosed
WO-2007097930-A1 AGENTS FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-30 WO disclosed
EP-1825883-A1 Agents for coloring keratin fibers Wella Aktiengesellschaft (DE) 2007-08-29 EP disclosed
EP-1820537-A1 Agents for coloring 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-20090165221-A1 Agents for Coloring Keratin Fibers KRT18, IK, KRTCAP2 KDR 4308/4885MAPT 781/4885L3MBTL1 4832/4885
US-20070199160-A1 Agents for coloring keratin fibers KRT18, IK, KRTCAP2 KDR 4308/4885MAPT 781/4885L3MBTL1 4832/4885

“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.