Bromide

Bromide

SCHEMBL4455472

Cn1c(=NN=Cc2cc[n+](CCO)cc2)sc2ccccc21.[Br-]

nearest known ligand 0.57

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 10/20 0.57
KMT2A Q03164 8/20 0.57
MEN1 O00255 5/20 0.57
NPC1 O15118 11/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
RAB9A P51151 9/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.41
TRPM5 Q9NZQ8 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40

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 SCHEMBL4455466 1.00 MAPT (0.57) MAPTKMT2AMEN1NPC1ALDH1A1
Bromide SCHEMBL4458051 0.89 MAPT (0.51) MAPTKMT2AMEN1NPC1ALDH1A1
Bromide SCHEMBL4458054 0.89 MAPT (0.51) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3942962 0.84 KMT2A (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3938932 0.83 KMT2A (0.53) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL15543287 0.82 MAPT (0.70) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3942956 0.82 KMT2A (0.56) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3942952 0.82 KMT2A (0.56) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3938929 0.81 KMT2A (0.55) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3938925 0.81 KMT2A (0.55) MAPTKMT2AMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488353-B2 Cationic heteroarylazine dyes and colorants containing these compounds WELLA AG (DE) 2009-02-10 US claimed
US-20070174975-A1 Cationic heteroarylazine dyes and colorants containing these compounds Wella GmbH (DE) 2007-08-02 US claimed
US-7488353-B2 Cationic heteroarylazine dyes and colorants containing these compounds WELLA AG (DE) 2009-02-10 US disclosed
US-20070174975-A1 Cationic heteroarylazine dyes and colorants containing these compounds Wella GmbH (DE) 2007-08-02 US 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 (1 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-20070174975-A1 Cationic heteroarylazine dyes and colorants containing these compounds KRT18, IK, CRYZ MAPT 1057/4885KMT2A 591/4885MEN1 4339/4885

“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.