Bromide

Bromide

SCHEMBL2291109

Br.CCCCOCCOCCOC(=O)CN1C=CN(C)C1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

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 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 4/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DGKA P23743 1/20 0.35
RARB P10826 2/20 0.35
RARA P10276 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NAAA Q02083 1/20 0.32
CYP3A4 P08684 1/20 0.32
CNR1 P21554 1/20 0.32
PTGS2 P35354 1/20 0.31

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 SCHEMBL2289747 0.92 ALDH1A1 (0.36) MEN1KMT2ADGKAALDH1A1SMN1; SMN2
Bromide SCHEMBL2291320 0.92 ALDH1A1 (0.36) MEN1KMT2ADGKAALDH1A1SMN1; SMN2
Bromide SCHEMBL2296147 0.92 MEN1 (0.43) MEN1KMT2ATSHRALOX15L3MBTL1
SCHEMBL2293228 0.90 ALDH1A1 (0.37) MEN1KMT2ATSHRALOX15L3MBTL1
SCHEMBL2288344 0.90 MEN1 (0.44) MEN1KMT2ATSHRALOX15L3MBTL1
Bromide SCHEMBL2291719 0.89 ALDH1A1 (0.39) TSHRALDH1A1SMN1; SMN2
Bromide SCHEMBL2293053 0.87 NAAA (0.45) MEN1KMT2ATSHRALOX15L3MBTL1
Bromide SCHEMBL2296153 0.87 ALDH1A1 (0.40) TSHRALDH1A1SMN1; SMN2
Bromide SCHEMBL2293289 0.86 TSHR (0.31) TSHRALDH1A1SMN1; SMN2CYP3A4
Bromide SCHEMBL2761053 0.86 NAAA (0.47) MEN1KMT2ATSHRL3MBTL1DGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183220-B1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY UNIV DUBLIN CITY (IE) 2016-11-09 EP claimed
US-8541598-B2 Biodegradable solvents for the chemical industry DUBLIN CITY UNIVERSITY (IE) 2013-09-24 US claimed
EP-2183220-B1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY UNIV DUBLIN CITY (IE) 2016-11-09 EP disclosed
US-8541598-B2 Biodegradable solvents for the chemical industry DUBLIN CITY UNIVERSITY (IE) 2013-09-24 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 3862/4885TSHR 2999/4885

“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.