SCHEMBL3968660

SCHEMBL3968660

COC(=O)C[n+]1csc(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
USP2 O75604 1/20 0.41
APOBEC3A P31941 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TKT P29401 1/20 0.37
FFAR1 O14842 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
NOTUM Q6P988 1/20 0.32
HSD17B10 Q99714 3/20 0.32

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 SCHEMBL2953593 0.98 KMT2A (0.54) KMT2AALDH1A1MEN1KDM4EAPOBEC3G
SCHEMBL6936407 0.79 TKT (0.46) TKT
Hydrochloric Acid SCHEMBL3846668 0.78 KMT2A (0.54) KMT2AMEN1KDM4ETP53MAPT
Hydrochloric Acid SCHEMBL3848932 0.78 KMT2A (0.54) KMT2AKDM4ELMNA
Bromide SCHEMBL2946803 0.78 TKT (0.46) TKTOPRM1OPRD1
SCHEMBL6939902 0.75 TKT (0.54) KMT2AALDH1A1MEN1KDM4ETKT
Bromide SCHEMBL2952819 0.74 TKT (0.53) KMT2AALDH1A1MEN1KDM4ETKT
Bromide SCHEMBL3847295 0.72 KMT2A (0.52) KMT2AKDM4EOPRM1OPRD1
SCHEMBL4189301 0.71 ALDH1A1 (0.41) KMT2AALDH1A1MEN1KDM4EAPOBEC3G
SCHEMBL5014356 0.71 LMNA (0.49) KMT2AALDH1A1MEN1MAPK1TSHR

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
WO-2009042213-A1 METHODS OF TREATING OR PREVENTING CARDIAC DISEASE ASSOCIATED WITH A HIGH FAT DIET SYNVISTA THERAPEUTICS, INC. (US) 2009-04-02 WO disclosed
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
WO-2009023207-A1 THIAZOLIUM COMPOUNDS FOR TREATING GASTROINTESTINAL COMPLICATIONS SYNVISTA THERAPEUTICS, INC. (US) 2009-02-19 WO 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
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

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 3186/4885ALDH1A1 653/4885MEN1 4851/4885
US-20080132553-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA KMT2A 3856/4885ALDH1A1 1576/4885MEN1 3995/4885
US-20070025926-A1 Preventing and reversing the formation of advance glycosylation endproducts AGER, PTMS, OGA KMT2A 3689/4885ALDH1A1 1227/4885MEN1 3783/4885

“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.