SCHEMBL974048

SCHEMBL974048

CC(=O)Nc1nc(/C=C/c2cc(C3OCCO3)cs2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.39
TYR P14679 1/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 1/20 0.37
DHFR P00374 1/20 0.36
EGFR P00533 1/20 0.36
ABL1 P00519 5/20 0.36
AOC3 Q16853 2/20 0.35
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL974049 1.00 KDM4E (0.46) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL972181 0.82 KDM4E (0.44) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL972179 0.82 KDM4E (0.44) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL971793 0.81 KDM4E (0.43) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL971794 0.81 KDM4E (0.43) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL12919413 0.78 GRM5 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL972009 0.76 HSD17B10 (0.52) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL972007 0.76 HSD17B10 (0.52) KDM4EHSD17B10MAPTL3MBTL1TYR
SCHEMBL12919401 0.74 IAPP (0.31) MAPTKMT2AALDH1A1
SCHEMBL12947788 0.72 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2650287-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2650287-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-12-03 EP disclosed
EP-2676955-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-12-25 EP disclosed
EP-2650287-A1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-10-16 EP disclosed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 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-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.