Bromide

Bromide

SCHEMBL2296154

CCCCOC(=O)C[n+]1ccn(C)c1.[Br-]

nearest known ligand 0.46

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
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSP90AA1 P07900 1/20 0.46
TSHR P16473 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ATM Q13315 1/20 0.35
DGKA P23743 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAD52 P43351 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
SCHEMBL2288348 0.98 MEN1 (0.43) MEN1KMT2ASMN1; SMN2HSP90AA1TSHR
Bromide SCHEMBL2293055 0.96 MEN1 (0.48) MEN1KMT2ASMN1; SMN2HSP90AA1TSHR
Bromide SCHEMBL2292021 0.94 MEN1 (0.50) MEN1KMT2ASMN1; SMN2HSP90AA1TSHR
Bromide SCHEMBL6115511 0.94 MEN1 (0.50) MEN1KMT2ASMN1; SMN2HSP90AA1TSHR
Bromide SCHEMBL1412163 0.94 MEN1 (0.50) MEN1KMT2ASMN1; SMN2HSP90AA1TSHR
SCHEMBL805595 0.94 MEN1 (0.46) MEN1KMT2ASMN1; SMN2HSP90AA1TSHR
SCHEMBL12419203 0.93 MEN1 (0.48) MEN1KMT2ASMN1; SMN2HSP90AA1TSHR
Bromide SCHEMBL2291097 0.92 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HSP90AA1TSHR
Bromide SCHEMBL6115324 0.91 MEN1 (0.41) MEN1KMT2ASMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL12380406 0.90 MEN1 (0.40) MEN1KMT2ASMN1; SMN2HSP90AA1TSHR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9555394-B2 Method of making ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 US disclosed
EP-2183220-B1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY UNIV DUBLIN CITY (IE) 2016-11-09 EP disclosed
US-20140057048-A1 METHOD OF MAKING IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2014-02-27 US disclosed
US-8623279-B2 Ionic liquid mediated sol-gel sorbents UNIVERSITY OF SOUTH FLORIDA (US) 2014-01-07 US disclosed
US-8541598-B2 Biodegradable solvents for the chemical industry DUBLIN CITY UNIVERSITY (IE) 2013-09-24 US disclosed
US-20120128551-A1 IONIC LIQUID MEDIATED SOL-GEL SORBENTS UNIVERSITY OF SOUTH FLORIDA (US) 2012-05-24 US disclosed
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2011-08-18 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-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY TIMM9, B2M, TIMM44 MEN1 3355/4885KMT2A 3862/4885SMN1; SMN2 1425/4885

“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.