SCHEMBL972620

SCHEMBL972620

CC(=O)Nc1nc(C=Cc2csc(/C=C(\C)C(=O)O)c2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.44
TYR P14679 1/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ABL1 P00519 7/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL972621 1.00 KDM4E (0.52) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL3403637 0.86 KDM4E (0.49) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL15158280 0.86 KDM4E (0.49) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL3403632 0.86 KDM4E (0.49) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL5550188 0.85 KDM4E (0.54) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL5550189 0.85 KDM4E (0.54) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL972007 0.81 HSD17B10 (0.52) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL972009 0.81 HSD17B10 (0.52) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL972619 0.81 HSD17B10 (0.47) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL12947788 0.79 HSD17B10 (0.47) KDM4EHSD17B10MAPTL3MBTL1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 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 (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-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR VAPB, TAS1R1, VAPA KDM4E 3352/4885HSD17B10 1468/4885MAPT 858/4885

“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.