SCHEMBL4881038

SCHEMBL4881038

CC(=O)Nc1nc(CCc2ccc(CCCNC(NC(=O)O)NC(=O)O)s2)cs1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 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
SCHEMBL4887509 0.95 AOC3 (0.53) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4888128 0.90 AOC3 (0.51) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4887312 0.85 AOC3 (0.55) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4887632 0.85 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4890242 0.85 AOC3 (0.52) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL5178740 0.83 AOC3 (0.44) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4990368 0.82 AOC3 (0.67) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4890548 0.82 AOC3 (0.66) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL974214 0.82 AOC3 (0.73) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL975257 0.82 AOC3 (0.51) 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 1 patent. 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

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.