SCHEMBL4249680

SCHEMBL4249680

C=Cc1sc[n+](CC(=O)c2ccccc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.49
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 7/20 0.45
MAPT P10636 5/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
NPSR1 Q6W5P4 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.40
ATM Q13315 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
Bromide SCHEMBL3847792 0.99 KMT2A (0.51) KMT2AOPRM1OPRD1POLBMEN1
Alagebrium SCHEMBL1820212 0.81 KMT2A (0.71) KMT2AOPRM1OPRD1POLBMEN1
Alagebrium SCHEMBL225618 0.80 KMT2A (0.69) KMT2AOPRM1OPRD1POLBMEN1
Alagebrium SCHEMBL1648822 0.80 KMT2A (0.74) KMT2AOPRM1OPRD1POLBMEN1
Bromide SCHEMBL6230023 0.78 KMT2A (0.52) KMT2AOPRM1OPRD1POLBMEN1
SCHEMBL6535188 0.77 OPRM1 (0.58) KMT2AOPRM1OPRD1POLBMEN1
Bromide SCHEMBL5015888 0.76 KMT2A (0.49) KMT2AOPRM1OPRD1POLBMEN1
Hydrochloric Acid SCHEMBL3846706 0.76 OPRM1 (0.57) KMT2AOPRM1OPRD1POLBMEN1
SCHEMBL6937914 0.75 OPRM1 (0.61) KMT2AOPRM1OPRD1POLBMEN1
Bromide SCHEMBL2947503 0.74 OPRM1 (0.64) KMT2AOPRM1OPRD1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 US claimed
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 claimed
US-20090088461-A1 Methods of Treating or Preventing Cardiac Disease Associated With a High Fat Diet SYNVISTA THERAPEUTICS, INC. (US) 2009-04-02 US disclosed
US-20080132553-A1 Preventing and reversing the formation of advance glycosylation endproducts CERAMI ANTHONY 2008-06-05 US disclosed
US-20070025926-A1 Preventing and reversing the formation of advance glycosylation endproducts SYNVISTA THERAPEUTICS, INC. 2007-02-01 US disclosed
US-7022719-B2 Preventing and reversing the formation of advance glycosylation endproducts ALTEON, INC. (US) 2006-04-04 US disclosed
US-6440749-B1 ADMINISTERING A THIAZOLE COMPOUND ALTEON. INC. 2002-08-27 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
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 (3 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-20090088461-A1 Methods of Treating or Preventing Cardiac Disease Associated With a High Fat Diet FABP3, TXNRD2, PPARD KMT2A 3186/4885OPRM1 3618/4885OPRD1 3409/4885
US-20080132553-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA KMT2A 3856/4885OPRM1 4872/4885OPRD1 4836/4885
US-20070025926-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA KMT2A 3689/4885OPRM1 4869/4885OPRD1 4827/4885

“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.