Bromide

Bromide

SCHEMBL786770

COC(=O)C(C(=O)OCc1ccc(OC)cc1)n1cc[n+](C)c1.[Br-]

nearest known ligand 0.41

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
ALDH1A1 P00352 4/20 0.41
ATM Q13315 1/20 0.40
HTT P42858 3/20 0.39
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37
P2RX4 Q99571 1/20 0.37
KMT2A Q03164 3/20 0.37
MIF P14174 1/20 0.37
RAB9A P51151 2/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
MAPT P10636 1/20 0.36
MMP9 P14780 2/20 0.36
MMP1 P03956 1/20 0.36
LDHA P00338 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
MMP2 P08253 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL786531 0.99 ALDH1A1 (0.42) ALDH1A1ATMHTTFABP7FABP5
Bromide SCHEMBL785301 0.88 SMN1; SMN2 (0.45) ALDH1A1HTTFABP7FABP5KMT2A
Bromide SCHEMBL187249 0.88 ALDH1A1 (0.40) ALDH1A1P2RX4KMT2ARAB9AMAPT
SCHEMBL786570 0.87 ALDH1A1 (0.41) ALDH1A1ATMKMT2ARAB9AMAPT
Bromide SCHEMBL786454 0.85 MEN1 (0.40) KMT2AMAPTMMP1MMP12
SCHEMBL786447 0.83 TBXAS1 (0.36) HTTKMT2AMMP9MMP1SMN1; SMN2
SCHEMBL785882 0.80 KMT2A (0.34) ALDH1A1ATMHTTFABP7FABP5
Bromide SCHEMBL187494 0.79 L3MBTL1 (0.43) ALDH1A1P2RX4KMT2ARAB9AMAPT
Bromide SCHEMBL187479 0.79 L3MBTL1 (0.43) ALDH1A1P2RX4KMT2ARAB9AMAPT
Bromide SCHEMBL187293 0.79 L3MBTL1 (0.43) ALDH1A1P2RX4KMT2ARAB9AMAPT

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 2 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

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 ALDH1A1 834/4885ATM 4829/4885HTT 1639/4885

“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.