SCHEMBL4249685

SCHEMBL4249685

C=CC1=C(C)N(CC(=O)c2ccccc2)CS1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GSK3B P49841 2/20 0.40
GSK3A P49840 1/20 0.40
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HRH1 P35367 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
GRIN2B Q13224 1/20 0.38
PTPN1 P18031 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 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
Bromide SCHEMBL3847798 0.99 ALDH1A1 (0.43) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
SCHEMBL1820216 0.81 ALDH1A1 (0.46) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
Bromide SCHEMBL2954276 0.80 ALDH1A1 (0.48) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL33828 0.80 RAB9A (0.46) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
SCHEMBL6535191 0.78 ALDH1A1 (0.43) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3846709 0.77 RAB9A (0.43) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
SCHEMBL6937918 0.76 ALDH1A1 (0.41) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
Bromide SCHEMBL2947505 0.75 ALDH1A1 (0.43) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3845136 0.73 KMT2A (0.46) ALDH1A1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL6535060 0.72 ALDH1A1 (0.43) ALDH1A1GSK3BGSK3ARAB9ASMN1; SMN2

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 ALDH1A1 653/4885GSK3B 300/4885GSK3A 262/4885
US-20080132553-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA ALDH1A1 1576/4885GSK3B 1564/4885GSK3A 1466/4885
US-20070025926-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA ALDH1A1 1227/4885GSK3B 1229/4885GSK3A 1104/4885

“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.