Bromide

Bromide

SCHEMBL186277

COC(=O)C(C(=O)OCc1ccccc1)n1cc[n+](C)c1.[Br-]

nearest known ligand 0.40

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 0.40
TRPM8 Q7Z2W7 1/20 0.40
LMNA P02545 2/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KYNU Q16719 1/20 0.37
HTR2C P28335 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IL1RN P18510 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
P2RX4 Q99571 1/20 0.36
LTA4H P09960 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
Bromide SCHEMBL187183 1.00 ALDH1A1 (0.40) ALDH1A1TRPM8LMNAALOX15SMN1; SMN2
Bromide SCHEMBL187249 1.00 ALDH1A1 (0.40) ALDH1A1TRPM8LMNAALOX15SMN1; SMN2
SCHEMBL785288 0.99 ALDH1A1 (0.41) ALDH1A1TRPM8LMNAALOX15SMN1; SMN2
SCHEMBL786570 0.99 ALDH1A1 (0.41) ALDH1A1TRPM8LMNAALOX15SMN1; SMN2
SCHEMBL786574 0.99 ALDH1A1 (0.41) ALDH1A1TRPM8LMNAALOX15SMN1; SMN2
Bromide SCHEMBL187479 0.90 L3MBTL1 (0.43) ALDH1A1LMNASMN1; SMN2HTR2CL3MBTL1
Bromide SCHEMBL187494 0.90 L3MBTL1 (0.43) ALDH1A1LMNASMN1; SMN2HTR2CL3MBTL1
Bromide SCHEMBL187293 0.90 L3MBTL1 (0.43) ALDH1A1LMNASMN1; SMN2HTR2CL3MBTL1
SCHEMBL785790 0.89 L3MBTL1 (0.44) ALDH1A1LMNASMN1; SMN2HTR2CL3MBTL1
SCHEMBL785955 0.89 L3MBTL1 (0.44) ALDH1A1LMNASMN1; SMN2HTR2CL3MBTL1

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 ALDH1A1 834/4885TRPM8 4092/4885LMNA 387/4885

“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.