SCHEMBL5545486

SCHEMBL5545486

CC(=O)Nc1nc(CCc2ccc(NCCNC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.53
MAOB P27338 3/20 0.49
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 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
SCHEMBL4867212 0.92 AOC3 (0.58) AOC3MAOBKMT2ASMN1; SMN2NPC1
SCHEMBL5551573 0.90 AOC3 (0.56) AOC3MAOBKMT2ASMN1; SMN2NPC1
SCHEMBL4870584 0.88 AOC3 (0.58) AOC3MAOBKMT2ASMN1; SMN2NPC1
SCHEMBL4865974 0.88 AOC3 (0.58) AOC3MAOBKMT2ASMN1; SMN2NPC1
SCHEMBL5547043 0.86 AOC3 (0.55) AOC3MAOBKMT2ASMN1; SMN2NPC1
SCHEMBL5547016 0.84 AOC3 (0.55) AOC3MAOBKMT2ASMN1; SMN2NPC1
SCHEMBL3934843 0.84 AOC3 (0.60) AOC3MAOBKMT2ASMN1; SMN2NPC1
SCHEMBL5550163 0.83 AOC3 (0.57) AOC3MAOBKMT2ASMN1; SMN2MEN1
SCHEMBL5549591 0.82 AOC3 (0.55) AOC3MAOBKMT2ASMN1; SMN2NPC1
SCHEMBL5550395 0.82 AOC3 (0.55) AOC3MAOBKMT2ASMN1; SMN2NPC1

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 3666/4885KMT2A 4562/4885

“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.