SCHEMBL4882312

SCHEMBL4882312

COC(=O)CCc1ccc(CCc2csc(NC(C)=O)n2)s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 1/20 0.51
MAOB P27338 3/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
RPS6KB2 Q9UBS0 1/20 0.45

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
SCHEMBL4886677 0.88 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4890267 0.87 SMN1; SMN2 (0.61) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL5179467 0.86 AOC3 (0.55) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL3933149 0.85 AOC3 (0.71) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL12947691 0.85 AOC3 (0.60) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL971613 0.85 AOC3 (0.60) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL972138 0.84 AOC3 (0.65) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL974214 0.84 AOC3 (0.73) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL974654 0.84 AOC3 (0.58) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL972905 0.84 SMN1; SMN2 (0.66) AOC3SMN1; SMN2KMT2AMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 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-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 163/4885SMN1; SMN2 2277/4885KMT2A 4199/4885

“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.