Bromide

Bromide

SCHEMBL187478

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

nearest known ligand 0.38

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 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.37
GLA P06280 1/20 0.36
RECQL P46063 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KCNA3 P22001 1/20 0.34
PIN1 Q13526 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 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 SCHEMBL187292 1.00 MMP8 (0.37) MMP8GLARECQLMEN1KMT2A
SCHEMBL803777 0.99 MMP8 (0.38) MMP8GLARECQLMEN1KMT2A
SCHEMBL803862 0.99 MMP8 (0.38) MMP8GLARECQLMEN1KMT2A
SCHEMBL803779 0.99 MMP8 (0.38) MMP8GLARECQLMEN1KMT2A
Bromide SCHEMBL187505 0.90 TSHR (0.36) MEN1KMT2ATSHRCYP3A4SMN1; SMN2
SCHEMBL15896771 0.90 KDM4E (0.35) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
Bromide SCHEMBL186788 0.90 TSHR (0.36) MEN1KMT2ATSHRCYP3A4SMN1; SMN2
SCHEMBL15896808 0.90 KDM4E (0.35) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL15897199 0.90 KDM4E (0.35) MEN1KMT2ACYP3A4CYP2C19SMN1; SMN2
SCHEMBL13186843 0.90 TSHR (0.34) MMP8GLAMEN1KMT2ATSHR

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 MMP8 2061/4885GLA 2515/4885RECQL 3537/4885

“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.