Bromide

Bromide

SCHEMBL478855

Br.Cc1ncc(CBr)c(CO)c1O

nearest known ligand 0.73

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 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.73
▸ ALDH1A1 P00352 3/20 0.73
▸ HPGD P15428 3/20 0.73
▸ HSD17B10 Q99714 1/20 0.73
▸ LMNA P02545 3/20 0.57
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ PDXK O00764 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AOX1 Q06278 1/20 0.47
▸ TRIM24 O15164 1/20 0.46
▸ TRIM33 Q9UPN9 1/20 0.46
▸ GAA P10253 1/20 0.40
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL13293531 0.98 KDM4E (0.76) KDM4EALDH1A1HPGDHSD17B10LMNA
Bromide SCHEMBL9614250 0.89 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
Bromide SCHEMBL6267513 0.89 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL479226 0.87 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3506 0.85 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL30267871 0.85 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL30877002 0.85 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL2322958 0.85 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3640160 0.83 HPGD (0.96) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3332830 0.83 KDM4E (0.96) KDM4EALDH1A1HPGDHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654231-B1 CONJUGATE COMPOUNDS AND METHODS FOR REDUCING THE RISK OF EPILEPTIC OCCURRENCE OR FOR TREATMENT OF SEIZURE DISORDERS DPHARM LTD (IL) 2012-02-01 — — EP disclosed
US-7745426-B2 Compositions and methods for reducing the risk of epileptic occurrence and/or for treatment of seizure disorders D-PHARM LTD. (IL) 2010-06-29 — — US disclosed
EP-1654231-A4 COMPOSITIONS AND METHODS FOR REDUCING THE RISK OF EPILEPTIC OCCURRENCE AND/OR FOR TREATMENT OF SEIZURE DISORDERS DPHARM LTD (IL) 2009-03-11 — — EP disclosed
US-20060235000-A1 Compositions and methods for reducing the risk of epileptic occurrence and/or for treatment of seizure disorders D-PHARM LTD. (IL) 2006-10-19 — — US disclosed
EP-1654231-A2 COMPOSITIONS AND METHODS FOR REDUCING THE RISK OF EPILEPTIC OCCURRENCE AND/OR FOR TREATMENT OF SEIZURE DISORDERS D-Pharm Ltd. (IL) 2006-05-10 — — EP disclosed
WO-2005016228-A2 COMPOSITIONS AND METHODS FOR REDUCING THE RISK OF EPILEPTIC OCCURRENCE AND/OR FOR TREATMENT OF SEIZURE DISORDERS D-PHARM LTD. (IL) 2005-02-24 — — WO disclosed
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 — — US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 — — US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 — — 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-20060235000-A1 Compositions and methods for reducing the risk of epileptic occurrence and/or for treatment of seizure disorders PNPO, CYP2B6, CHRNA6 KDM4E 581/4885ALDH1A1 1711/4885HPGD 152/4885

“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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