Bromide

Bromide

SCHEMBL2701958

COCOCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]

nearest known ligand 0.47

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 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.47
CHRNA7 P36544 9/20 0.45
TRAP1 Q12931 2/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
PSMB5 P28074 2/20 0.34
PSMB1 P20618 1/20 0.34

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 SCHEMBL2806321 0.85 HIF1A (0.54) HIF1ACHRNA7TRAP1ALDH1A1CYP1A2
Iodide SCHEMBL9817064 0.83 CHRNA7 (0.49) HIF1ACHRNA7TRAP1ALDH1A1CYP1A2
Iodide SCHEMBL9817092 0.83 CHRNA7 (0.49) HIF1ACHRNA7TRAP1ALDH1A1CYP1A2
Iodide SCHEMBL3466381 0.82 CHRNA7 (0.54) HIF1ACHRNA7TRAP1ALDH1A1CYP1A2
Bromide SCHEMBL2542018 0.77 HIF1A (0.58) HIF1ACHRNA7TRAP1ALDH1A1CYP1A2
Bromide SCHEMBL79890 0.77 TSHR (0.48) HIF1ACHRNA7ALDH1A1CYP1A2CYP2D6
Iodide SCHEMBL1051101 0.77 CHRNA7 (0.55) HIF1ACHRNA7TRAP1ALDH1A1CYP1A2
SCHEMBL30663033 0.75 TSHR (0.50) HIF1ACHRNA7ALDH1A1CYP1A2CYP2D6
Bromide SCHEMBL2446042 0.74 HIF1A (0.74) HIF1ACHRNA7TRAP1ALDH1A1CYP1A2
Bromide SCHEMBL2449969 0.74 HIF1A (0.74) HIF1ACHRNA7TRAP1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188064-B2 Reducing cell differentiation of adipocyte; reducing body fat WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-05-29 US disclosed
EP-1613588-B1 2-PROPYLIDENE-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RES FOUND (US) 2012-05-09 EP disclosed
US-7538098-B2 19-nor-vitamin D analogs with 1,2 or 3,2 heterocyclic ring WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-26 US disclosed
US-7531527-B2 2-Propylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-12 US disclosed
WO-2009015180-A2 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
EP-2001860-A2 19-NOR-VITAMIN D ANALOGS WITH 1,2,OR 3,2 HETEROCYCLIC RING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-12-17 EP disclosed
WO-2008026078-A2 19-NOR-VITAMIN D ANALOGS WITH 1,2,OR 3,2 HETEROCYCLIC RING WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-03-06 WO disclosed
US-20070238712-A1 19-Nor-Vitamin D Analogs with 1,2 or 3,2 Heterocyclic Ring WISCONSIN ALUMNI RESEARCH FOUNDATION 2007-10-11 US disclosed
US-20070213546-A1 2-Propylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION. (US) 2007-09-13 US disclosed
US-7241747-B2 2-propylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-07-10 US disclosed
US-20060293291-A1 2-Propylidene-19-nor-vitamin d compounds WISCONSIN ALUMNI RESEARCH FOUNDATION 2006-12-28 US disclosed
EP-1613588-A2 2-PROPYLIDENE-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-01-11 EP disclosed
US-20050119242-A1 Vitamin D analogs for obesity prevention and treatment WISCONSIN ALUMNI RESEARCH FOUNDATION 2005-06-02 US disclosed
US-20040229851-A1 2-Propylidene-19-nor-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-11-18 US disclosed
WO-2004092118-A2 2-PROPYLIDENE-19-NOR-VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-10-28 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 (5 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-20070213546-A1 2-Propylidene-19-nor-vitamin D compounds VDR, CD14, CYP24A1 HIF1A 2894/4885CHRNA7 2856/4885TRAP1 973/4885
US-20060293291-A1 2-Propylidene-19-nor-vitamin d compounds VDR, CD14, CYP24A1 HIF1A 2894/4885CHRNA7 2856/4885TRAP1 973/4885
US-20070238712-A1 19-Nor-Vitamin D Analogs with 1,2 or 3,2 Heterocyclic Ring CYP24A1, CYP27B1, CYP2R1 HIF1A 942/4885CHRNA7 3233/4885TRAP1 652/4885
US-20040229851-A1 2-Propylidene-19-nor-vitamin D compounds VDR, CD14, CYP24A1 HIF1A 2894/4885CHRNA7 2856/4885TRAP1 973/4885
US-20050119242-A1 Vitamin D analogs for obesity prevention and treatment VDR, CYP24A1, SCD HIF1A 576/4885CHRNA7 4094/4885TRAP1 2166/4885

“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.