Bromide

Bromide

SCHEMBL786195

CCCCOC(=O)C(OC(=O)C[n+]1ccn(CCCC)c1)c1ccc2c(c1)OCO2.[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 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TAS1R3 Q7RTX0 4/20 0.35
TAS1R1 Q7RTX1 4/20 0.35
EDNRA P25101 1/20 0.34
PON1 P27169 1/20 0.34
OGA O60502 2/20 0.34
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.33
ALPG P10696 1/20 0.33
FDPS P14324 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
SCHEMBL15896809 0.99 KMT2A (0.39) KMT2AMEN1SMN1; SMN2HSP90AA1ALDH1A1
Bromide SCHEMBL786345 0.91 ALDH1A1 (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL15896801 0.90 ALDH1A1 (0.38) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL803601 0.85 ALDH1A1 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL15897079 0.79 EDNRA (0.46) KMT2AMEN1SMN1; SMN2RAB9ATAS1R3
Hydrochloric Acid SCHEMBL786185 0.78 EDNRA (0.46) KMT2AMEN1SMN1; SMN2RAB9ATAS1R3
SCHEMBL803820 0.77 TAS1R3 (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL804130 0.76 ALDH1A1 (0.39) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
Bromide SCHEMBL186788 0.73 TSHR (0.36) KMT2AMEN1SMN1; SMN2HSP90AA1ALDH1A1
Bromide SCHEMBL187505 0.73 TSHR (0.36) KMT2AMEN1SMN1; SMN2HSP90AA1ALDH1A1

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 KMT2A 3968/4885MEN1 3011/4885SMN1; SMN2 2787/4885

“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.