SCHEMBL972650

SCHEMBL972650

CC(=O)Nc1nc(COc2ccc(CCNC(=O)NN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
AOC3 Q16853 13/20 0.44
MAOB P27338 3/20 0.41
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
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
SCHEMBL972651 0.96 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL12947802 0.87 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL973606 0.83 AOC3 (0.52) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL974995 0.82 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL973608 0.80 AOC3 (0.50) NPC1RAB9ASMN1; SMN2LMNAHTT
Trifluoroacetic Acid SCHEMBL972503 0.79 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL972133 0.78 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL3406288 0.78 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL973662 0.77 AOC3 (0.46) NPC1RAB9ASMN1; SMN2LMNAHTT
SCHEMBL973144 0.77 AOC3 (0.57) NPC1RAB9ASMN1; SMN2LMNAHTT

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-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 NPC1 36/4885RAB9A 1579/4885SMN1; 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.