Bromide

Bromide

SCHEMBL785301

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

nearest known ligand 0.45

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
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
CACNA1B Q00975 1/20 0.33
SMPD1 P17405 1/20 0.33
MMP1 P03956 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 SCHEMBL786770 0.88 ALDH1A1 (0.41) SMN1; SMN2MAPTKMT2AALDH1A1TDP1
Bromide SCHEMBL187183 0.88 ALDH1A1 (0.40) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
Bromide SCHEMBL186277 0.88 ALDH1A1 (0.40) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
Bromide SCHEMBL187249 0.88 ALDH1A1 (0.40) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
SCHEMBL786531 0.87 ALDH1A1 (0.42) SMN1; SMN2MAPTKMT2AALDH1A1TDP1
SCHEMBL786574 0.87 ALDH1A1 (0.41) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL786570 0.87 ALDH1A1 (0.41) SMN1; SMN2LMNAMAPTKMT2AMEN1
SCHEMBL785288 0.87 ALDH1A1 (0.41) SMN1; SMN2LMNAMAPTKMT2AMEN1
Bromide SCHEMBL786454 0.85 MEN1 (0.40) MAPTKMT2AKDM4EMEN1MMP1
Bromide SCHEMBL187479 0.79 L3MBTL1 (0.43) SMN1; SMN2LMNAMAPTKMT2AMEN1

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-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
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 SMN1; SMN2 2787/4885LMNA 387/4885MAPT 4223/4885

“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.