SCHEMBL5547016

SCHEMBL5547016

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.55
MAOB P27338 3/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
HTT P42858 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KMT2A Q03164 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
SCHEMBL4867212 0.92 AOC3 (0.58) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL5551573 0.87 AOC3 (0.56) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL5547043 0.87 AOC3 (0.55) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4984453 0.86 ABL1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5178246 0.85 AOC3 (0.46) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4870584 0.85 AOC3 (0.58) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL5501349 0.84 AOC3 (0.60) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL5545486 0.84 AOC3 (0.53) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL5178740 0.81 AOC3 (0.44) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4865974 0.81 AOC3 (0.58) AOC3MAOBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885MAOB 3666/4885NPC1 427/4885

“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.