Bromide

Bromide

SCHEMBL2956997

Br.CC1=CSCN1CC(=O)c1ccc(Br)cc1

nearest known ligand 0.50

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
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 2/20 0.45
GFER P55789 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PLIN1 O60240 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
GSK3B P49841 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4255420 0.99 MAPT (0.48) MAPTSMN1; SMN2RAB9AHTTALDH1A1
Bromide SCHEMBL3042040 0.85 ALDH1A1 (0.45) MAPTSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL5015881 0.84 CA12 (0.45) MAPTSMN1; SMN2RAB9AALDH1A1GAA
Hydrochloric Acid SCHEMBL7759140 0.82 RAB9A (0.46) MAPTSMN1; SMN2RAB9AALDH1A1GFER
Bromide SCHEMBL3851561 0.77 MAPT (0.50) MAPTSMN1; SMN2RAB9AHTTALDH1A1
SCHEMBL6938200 0.75 ALDH1A1 (0.49) MAPTSMN1; SMN2RAB9AHTTALDH1A1
SCHEMBL11545365 0.73 LMNA (0.38) MAPTSMN1; SMN2HTTALDH1A1LMNA
Bromide SCHEMBL2946957 0.72 MAPT (0.45) MAPTSMN1; SMN2RAB9AHTTALDH1A1
Hydrochloric Acid SCHEMBL2150060 0.72 LMNA (0.37) MAPTSMN1; SMN2HTTALDH1A1LMNA
Bromide SCHEMBL2945063 0.71 ALDH1A1 (0.45) MAPTSMN1; SMN2RAB9AHTTALDH1A1

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 56 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
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-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
US-7622117-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
EP-2085086-A2 Method for treating congestive heart failure or diabetic nephropathy Synvista Therapeutics, Inc. (US) 2009-08-05 EP disclosed
EP-1098647-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2001-05-16 EP disclosed
WO-2000003711-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2000-01-27 WO disclosed
US-6007865-A FOR INHIBITING AND REVERSING NONENZYMATIC CROSS-LINKING (PROTEIN AGING), TREATING KIDNEY DAMAGE AND TREATING COMPLICATIONS OF DIABETES, PREVENTING FOOD SPOILAGE ALTEON INC. 1999-12-28 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 MAPT 677/4885SMN1; SMN2 2850/4885RAB9A 3851/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 MAPT 3453/4885SMN1; SMN2 3746/4885RAB9A 3894/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 MAPT 3453/4885SMN1; SMN2 3746/4885RAB9A 3894/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE MAPT 2715/4885SMN1; SMN2 3654/4885RAB9A 1555/4885

“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.