SCHEMBL973535

SCHEMBL973535

CC(=O)Nc1nc(CCc2cccc(CNC(=O)NN(C(=O)O)C(=O)OC(C)(C)C)c2)cs1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.50
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
MAOB P27338 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLS O94925 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL973533 0.96 AOC3 (0.52) AOC3ROCK2ROCK1MAOBNPC1
SCHEMBL973608 0.93 AOC3 (0.50) AOC3ROCK2ROCK1MAOBNPC1
SCHEMBL973610 0.90 AOC3 (0.57) AOC3ROCK2ROCK1MAOBNPC1
SCHEMBL973606 0.89 AOC3 (0.52) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL973663 0.87 AOC3 (0.44) AOC3ROCK2ROCK1MAOBNPC1
SCHEMBL972949 0.87 AOC3 (0.46) AOC3ROCK2ROCK1MAOBNPC1
SCHEMBL16784935 0.84 AOC3 (0.58) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL12947699 0.84 AOC3 (0.54) AOC3ROCK2ROCK1MAOBNPC1
SCHEMBL972690 0.83 AOC3 (0.41) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL971972 0.83 AOC3 (0.57) AOC3ROCK2ROCK1MAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 438/4885ROCK2 2317/4885ROCK1 530/4885

“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.