Bromide

Bromide

SCHEMBL187496

CCOC(C)OC(=O)C(OC(=O)C[n+]1ccn(C)c1)c1ccccc1.[Br-]

nearest known ligand 0.32

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 15)

geneUniProtsupporting neighboursconfidence
CHRM4 known ✓ P08173 1/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RECQL P46063 1/20 0.32
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TSHR P16473 1/20 0.30
KCNA3 P22001 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
Bromide SCHEMBL187478 0.88 MMP8 (0.37) MEN1KMT2ARECQLGLACYP3A4
Bromide SCHEMBL187292 0.88 MMP8 (0.37) MEN1KMT2ARECQLGLACYP3A4
SCHEMBL803779 0.87 MMP8 (0.38) MEN1KMT2ARECQLGLACYP3A4
SCHEMBL803777 0.87 MMP8 (0.38) MEN1KMT2ARECQLGLACYP3A4
SCHEMBL803862 0.87 MMP8 (0.38) MEN1KMT2ARECQLGLACYP3A4
Bromide SCHEMBL187182 0.85 KMT2A (0.38) MEN1KMT2ARECQLCYP3A4CYP2C19
Bromide SCHEMBL186276 0.85 KMT2A (0.38) MEN1KMT2ARECQLCYP3A4CYP2C19
SCHEMBL805654 0.84 KMT2A (0.39) MEN1KMT2ARECQLPOLBCYP3A4
SCHEMBL803548 0.84 KMT2A (0.39) MEN1KMT2ARECQLPOLBCYP3A4
SCHEMBL805661 0.84 KMT2A (0.39) MEN1KMT2ARECQLPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US claimed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 US claimed
EP-2401258-A1 IONIC LIQUID SOLVENTS Dublin City University (IE) 2012-01-04 EP claimed
WO-2010097412-A1 IONIC LIQUID SOLVENTS DUBLIN CITY UNIVERSITY (IE) 2010-09-02 WO claimed
US-8785655-B2 Ionic liquid solvents DUBLIN CITY UNIVERSITY (IE) 2014-07-22 US disclosed
US-20120071661-A1 Ionic Liquid Solvents DUBLIN CITY UNIVERSITY (IE) 2012-03-22 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-20120071661-A1 Ionic Liquid Solvents EBP, PAICS, HACD3 CHRM4 1404/4885CHRM1 289/4885CHRM3 1004/4885

“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.