SCHEMBL6535177

SCHEMBL6535177

Cc1sc[n+](CC(=O)c2ccccc2O)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
CYP19A1 P11511 1/20 0.38
NPC1 O15118 5/20 0.38
TSHR P16473 4/20 0.38
HPGD P15428 5/20 0.37
MEN1 O00255 5/20 0.37
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HTT P42858 2/20 0.37
ALOX12 P18054 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 5/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HMGB1 P09429 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37

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 SCHEMBL3850333 0.99 KMT2A (0.57) KMT2ACYP19A1NPC1TSHRHPGD
SCHEMBL3846298 0.89 KMT2A (0.52) KMT2AHPGDMEN1MAPTKDM4E
SCHEMBL6535502 0.84 KMT2A (0.56) KMT2AMEN1MAPTNPSR1HTT
Bromide SCHEMBL3845852 0.82 KMT2A (0.54) KMT2ANPC1HPGDMEN1MAPT
Alagebrium SCHEMBL1820212 0.80 KMT2A (0.71) KMT2ANPC1HPGDMEN1MAPT
Bromide SCHEMBL3847549 0.80 KMT2A (0.52) KMT2AOPRM1OPRD1LMNAGAA
Bromide SCHEMBL3845600 0.75 KMT2A (0.76) KMT2ANPC1MEN1MAPTNPSR1
Hydrochloric Acid SCHEMBL3846894 0.74 KMT2A (0.63) KMT2AMEN1MAPTKDM4ECA12
Bromide SCHEMBL3854076 0.74 KMT2A (0.71) KMT2AHPGDMEN1MAPTSMN1; SMN2
Bromide SCHEMBL8078699 0.73 KMT2A (0.58) KMT2ANPC1TSHRHPGDMEN1

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 9 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 claimed
EP-1257272-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-11-20 EP claimed
US-20020055527-A1 Thiazolium compounds and treatments of disorders associated with protein aging SYNVISTA THERAPEUTICS, INC. 2002-05-09 US claimed
WO-2001062250-A1 THIAZOLIUM COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-08-30 WO claimed
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 4558/4885CYP19A1 4201/4885NPC1 2737/4885

“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.