SCHEMBL971972

SCHEMBL971972

CC(=O)Nc1nc(CCc2cccc(CCNC(=O)NN(C(=O)O)C(=O)O)c2)cs1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.57
MAOB P27338 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL973610 0.92 AOC3 (0.57) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL973608 0.90 AOC3 (0.50) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL973606 0.87 AOC3 (0.52) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL15158272 0.87 AOC3 (0.60) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL971451 0.86 AOC3 (0.64) AOC3MAOBSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL971503 0.85 AOC3 (0.63) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL973535 0.83 AOC3 (0.50) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL971908 0.83 AOC3 (0.47) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL3941118 0.82 AOC3 (0.67) AOC3MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL14188835 0.82 AOC3 (0.73) AOC3MAOBSMN1; SMN2NPC1RAB9A

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 438/4885MAOB 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.