Bromide

Bromide

SCHEMBL14743114

CC(C)(C)OC(=O)NCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

nearest known ligand 0.64

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 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.48
▸ MALT1 Q9UDY8 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ MMP1 P03956 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ DRD2 P14416 4/20 0.45
▸ KCNA5 P22460 1/20 0.45
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CTSK P43235 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BRD4 O60885 1/20 0.43

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 SCHEMBL14742725 0.95 MEN1 (0.57) MEN1GAAKMT2ATDP1MALT1
Bromide SCHEMBL23458244 0.89 MEN1 (0.51) MEN1GAAKMT2AMALT1IDO1
Bromide SCHEMBL16057943 0.89 MEN1 (0.50) MEN1GAAKMT2ATDP1MALT1
Bromide SCHEMBL23883206 0.85 GAA (0.47) MEN1GAAKMT2AMALT1IDO1
Iodide SCHEMBL16056441 0.83 IDO1 (0.50) MEN1GAAKMT2AMALT1IDO1
SCHEMBL6500581 0.82 MEN1 (0.61) MEN1GAAKMT2ATDP1MALT1
SCHEMBL6491658 0.82 MEN1 (0.61) MEN1GAAKMT2ATDP1MALT1
SCHEMBL6494079 0.82 MEN1 (0.61) MEN1GAAKMT2ATDP1MALT1
SCHEMBL24003388 0.81 MEN1 (0.69) MEN1GAAKMT2ATDP1IDO1
SCHEMBL9074865 0.81 MEN1 (0.69) MEN1GAAKMT2ATDP1IDO1

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
EP-2751089-B1 COMPOUNDS AND METHODS FOR ASSAYING REDOX STATE OF METABOLICALLY ACTIVE CELLS AND METHODS FOR MEASURING NAD(P)/NAD(P)H PROMEGA CORP (US) 2018-11-14 — — EP disclosed
US-9951372-B2 Compounds and methods for assaying redox state of metabolically active cells and methods for measuring NAD(P)/NAD(P)H PROMEGA CORPORATION (US) 2018-04-24 — — US disclosed
US-9273343-B2 Compounds and methods for assaying redox state of metabolically active cells and methods for measuring NAD(P)/NAD(P)H PROMEGA CORPORATION (US) 2016-03-01 — — US disclosed
EP-2751089-A1 COMPOUNDS AND METHODS FOR ASSAYING REDOX STATE OF METABOLICALLY ACTIVE CELLS AND METHODS FOR MEASURING NAD(P)/NAD(P)H Promega Corporation (US) 2014-07-09 — — EP disclosed
US-20130130289-A1 COMPOUNDS AND METHODS FOR ASSAYING REDOX STATE OF METABOLICALLY ACTIVE CELLS AND METHODS FOR MEASURING NAD(P)/NAD(P)H PROMEGA CORPORATION (US) 2013-05-23 — — US disclosed
WO-2013033515-A1 COMPOUNDS AND METHODS FOR ASSAYING REDOX STATE OF METABOLICALLY ACTIVE CELLS AND METHODS FOR MEASURING NAD(P)/NAD(P)H PROMEGA CORPORATION (US) 2013-03-07 — — WO 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-20130130289-A1 COMPOUNDS AND METHODS FOR ASSAYING REDOX STATE OF METABOLICALLY ACTIVE CELLS AND METHODS FOR MEASURING NAD(P)/NAD(P)H NQO1, ME2, NADK MEN1 1916/4885GAA 932/4885KMT2A 3137/4885

“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.

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