SCHEMBL975090

SCHEMBL975090

CC(=O)Nc1nc(C(=O)Oc2ccc(CCOC(=O)NN)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAOB P27338 2/20 0.42
HSP90AA1 P07900 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 3/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
Hydrochloric Acid SCHEMBL973480 0.99 AOC3 (0.45) AOC3L3MBTL1RAB9AMAPTMAPK1
SCHEMBL973157 0.86 AOC3 (0.41) AOC3L3MBTL1RAB9AMAPTMAPK1
SCHEMBL12919528 0.85 HIF1A (0.42) AOC3RAB9AMAPTMAPK1SMN1; SMN2
SCHEMBL970695 0.84 AOC3 (0.47) AOC3L3MBTL1MAPTSMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL973152 0.84 AOC3 (0.46) AOC3L3MBTL1MAPTMAOBKDM4E
SCHEMBL971774 0.84 AOC3 (0.46) AOC3L3MBTL1RAB9AMAPTMAPK1
Hydrochloric Acid SCHEMBL971514 0.83 AOC3 (0.45) AOC3L3MBTL1RAB9AMAPTMAPK1
SCHEMBL970629 0.82 AOC3 (0.69) AOC3RAB9ASMN1; SMN2MAOBNPC1
SCHEMBL973111 0.82 NPC1 (0.62) AOC3RAB9AMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL973258 0.81 AOC3 (0.67) AOC3RAB9ASMN1; SMN2MAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2639229-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP claimed
EP-2639229-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-11-26 EP claimed
EP-2639229-A2 Thiazole Derivative and use thereof as VAP-1 Inhibitor R-Tech Ueno, Ltd. (JP) 2013-09-18 EP claimed
US-8507690-B2 Thiazole derivative and use thereof as VAP-1 inhibitor R-TECH UENO, LTD. (JP) 2013-08-13 US claimed
US-20110015240-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2011-01-20 US claimed
EP-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP claimed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO claimed
EP-2639229-B9 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-08-05 EP disclosed
EP-2639229-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2014-11-26 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
EP-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP 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 AOC3 438/4885L3MBTL1 558/4885RAB9A 1579/4885

“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.