SCHEMBL971793

SCHEMBL971793

CC(=O)Nc1nc(/C=C/c2cc(C3OCCO3)c([Si](C)(C)C)s2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.36
ABL1 P00519 5/20 0.35
TYR P14679 1/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
DHFR P00374 1/20 0.34
EGFR P00533 1/20 0.34
PIK3CG P48736 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP3 P42574 1/20 0.32
HTT P42858 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 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
SCHEMBL971794 1.00 KDM4E (0.43) KDM4EMAPTHSD17B10L3MBTL1ABL1
SCHEMBL972181 0.82 KDM4E (0.44) KDM4EMAPTHSD17B10L3MBTL1ABL1
SCHEMBL972179 0.82 KDM4E (0.44) KDM4EMAPTHSD17B10L3MBTL1ABL1
SCHEMBL974049 0.81 KDM4E (0.46) KDM4EMAPTHSD17B10L3MBTL1ABL1
SCHEMBL974048 0.81 KDM4E (0.46) KDM4EMAPTHSD17B10L3MBTL1ABL1
SCHEMBL12919411 0.80 GRM5 (0.35)
SCHEMBL3404357 0.73 RXRA (0.36) KDM4EL3MBTL1KMT2APOLBALDH1A1
SCHEMBL3404355 0.73 RXRA (0.36) KDM4EL3MBTL1KMT2APOLBALDH1A1
SCHEMBL971574 0.72 ALDH1A1 (0.35) KDM4EMAPTHSD17B10TYRSMN1; SMN2
SCHEMBL4891163 0.69 KDM4E (0.53) KDM4EMAPTHSD17B10L3MBTL1ABL1

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 8 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

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 3352/4885MAPT 858/4885HSD17B10 1468/4885

“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.