Bromide

Bromide

SCHEMBL2954205

NC(=O)C[n+]1csc2ccccc21.[Br-]

nearest known ligand 0.54

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 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.54
KDM4E B2RXH2 8/20 0.54
HPGD P15428 8/20 0.54
MAPT P10636 7/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALOX12 P18054 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
LMNA P02545 2/20 0.46
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALPG P10696 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 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 SCHEMBL8385551 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTMEN1
Bromide SCHEMBL8385548 0.98 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL6935716 0.98 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMAPTMEN1
Hydrochloric Acid SCHEMBL1520138 0.97 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTMEN1
Bromide SCHEMBL8390275 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMAPTMEN1
Bromide SCHEMBL2951033 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMAPTMEN1
Bromide SCHEMBL8390272 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL6936085 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTMEN1
Bromide SCHEMBL2954113 0.81 KMT2A (0.55) ALDH1A1KDM4EHPGDMAPTMEN1
Bromide SCHEMBL2954204 0.80 KDM4E (0.52) ALDH1A1KDM4EHPGDMAPTMEN1

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1576093-A4 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS INC (US) 2009-07-08 EP claimed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US claimed
EP-1753861-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN Dynamis Therapeutics, Inc. (US) 2007-02-21 EP claimed
EP-1576093-A2 3-DEOXYGLUCOSONE AND SKIN Dynamis Therapeutics, Inc. (US) 2005-09-21 EP claimed
WO-2005079463-A2 FRUCTOSEAMINE 3 KINASE AND THE FORMATION OF COLLAGEN AND ELASTIN DYNAMIS THERAPEUTICS, INC. (US) 2005-09-01 WO claimed
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US claimed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US claimed
US-RE38330-E1 Preventing and reversing advanced glycosylation endproducts ALTEON INC. 2003-11-25 US claimed
WO-2003089601-A2 3-DEOXYGLUCOSONE AND SKIN DYNAMIS THERAPEUTICS, INC. (US) 2003-10-30 WO claimed
EP-0808163-B1 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC (US) 2003-07-23 EP claimed
US-5853703-A Preventing and reversing the formation of advanced glycosylation endproducts THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-12-29 US claimed
EP-0808163-A2 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON, INC. (US) 1997-11-26 EP claimed
US-5656261-A USING A THIAZOLIUM COMPOUND THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-08-12 US claimed
WO-1996022095-A2 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC. (US) 1996-07-25 WO claimed
US-20100310482-A1 3-Deoxyglucosone And Skin DYNAMIS THERAPEUTICS, INC. (US) 2010-12-09 US disclosed
US-7749503-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2010-07-06 US disclosed
US-7671019-B2 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. (US) 2010-03-02 US disclosed
EP-0808163-A2 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON, INC. (US) 1997-11-26 EP disclosed
US-5656261-A USING A THIAZOLIUM COMPOUND THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-08-12 US disclosed
WO-1996022095-A2 USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS ALTEON INC. (US) 1996-07-25 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 (4 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-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 ALDH1A1 927/4885KDM4E 1956/4885HPGD 1663/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 ALDH1A1 383/4885KDM4E 897/4885HPGD 854/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 ALDH1A1 383/4885KDM4E 897/4885HPGD 854/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE ALDH1A1 357/4885KDM4E 441/4885HPGD 127/4885

“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.