SCHEMBL6535467

SCHEMBL6535467

Cc1sc[n+](CC(=O)c2ccc(O)cc2)c1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.74
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
HSD17B3 P37058 6/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTPN1 P18031 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
AHR P35869 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.40
ALPI P09923 1/20 0.40
GAA P10253 1/20 0.40
ALPG P10696 1/20 0.40
APEX1 P27695 1/20 0.40
CASP3 P42574 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 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 SCHEMBL5004646 0.98 KMT2A (0.76) KMT2AOPRM1OPRD1HSD17B3NPC1
Bromide SCHEMBL3845600 0.98 KMT2A (0.76) KMT2AOPRM1OPRD1HSD17B3NPC1
Bromide SCHEMBL5004644 0.97 KMT2A (0.74) KMT2AOPRM1OPRD1HSD17B3NPC1
SCHEMBL6938197 0.86 KMT2A (0.97) KMT2AOPRM1OPRD1NPC1RAB9A
Alagebrium SCHEMBL1820212 0.86 KMT2A (0.71) KMT2AOPRM1OPRD1NPC1RAB9A
Bromide SCHEMBL3849500 0.85 KMT2A (0.74) KMT2AOPRM1OPRD1NPC1RAB9A
Bromide SCHEMBL2956158 0.85 KMT2A (1.00) KMT2AOPRM1OPRD1NPC1RAB9A
Alagebrium SCHEMBL225618 0.84 KMT2A (0.69) KMT2AOPRM1OPRD1ALDH1A1POLB
Alagebrium SCHEMBL1648822 0.84 KMT2A (0.74) KMT2AOPRM1OPRD1L3MBTL1AHR
Bromide SCHEMBL3849441 0.83 KMT2A (0.63) KMT2AOPRM1OPRD1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257272-A4 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-12-15 EP disclosed
EP-1257272-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-11-20 EP disclosed
US-6458819-B1 INHIBITION OF FORMATION OF ADVANCED GLYCOSYLATION OF PROTEINS AND TO BREAKING THE CROSS-LINKS THAT FORM BETWEEN ADVANCED GLYCOSYLATION ENDPRODUCTS OR BETWEEN AGES AND OTHER PROTEINS. ALTEON, INC. 2002-10-01 US disclosed
US-20020055527-A1 Thiazolium compounds and treatments of disorders associated with protein aging SYNVISTA THERAPEUTICS, INC. 2002-05-09 US disclosed
WO-2001062250-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-08-30 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 (1 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-20020055527-A1 Thiazolium compounds and treatments of disorders associated with protein aging TTR, RBP4, COL2A1 KMT2A 4558/4885OPRM1 4413/4885OPRD1 3925/4885

“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.