SCHEMBL4889944

SCHEMBL4889944

CC(=O)Nc1nc(CCc2ncc(CC(=O)NC(=N)N)s2)cs1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.48
MAOB P27338 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
HTT P42858 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL4885627 0.85 AOC3 (0.51) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4888480 0.85 AOC3 (0.53) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL974513 0.81 AOC3 (0.52) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL1443502 0.80 AOC3 (0.67) AOC3MAOB
SCHEMBL4886314 0.80 AOC3 (0.50) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4887968 0.77 AOC3 (0.52) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3931248 0.76 AOC3 (0.67) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL3403325 0.76 AOC3 (0.49) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3403329 0.74 AOC3 (0.47) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL14281008 0.72 AOC3 (0.56) AOC3MAOBSMN1; SMN2KMT2ANPC1

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
US-20080015202-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2008-01-17 US disclosed
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 163/4885MAOB 1224/4885SMN1; SMN2 2277/4885

“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.