SCHEMBL973281

SCHEMBL973281

CC(=O)Nc1nc(CCc2ccc(CCSC(=O)NNC(=O)OC(C)(C)C)cc2)cs1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.59
MAOB P27338 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL972144 0.93 AOC3 (0.60) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL971538 0.87 AOC3 (0.67) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL15309500 0.86 AOC3 (0.49) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL972059 0.86 AOC3 (0.60) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL972993 0.86 AOC3 (0.60) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL973715 0.86 AOC3 (0.60) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL974137 0.84 AOC3 (0.50) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL971841 0.83 AOC3 (0.57) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL973144 0.83 AOC3 (0.57) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL974383 0.81 AOC3 (0.72) AOC3MAOBSMN1; SMN2KMT2A

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-2676955-B1 Thiazole Derivative and use thereof as VAP-1 Inhibitor R TECH UENO LTD (JP) 2015-03-11 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

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 438/4885MAOB 2923/4885SMN1; SMN2 879/4885

“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.