SCHEMBL4890448

SCHEMBL4890448

CN(C)C(=O)c1nc(CCc2ccc(CC(=O)NC(=N)N)s2)cs1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 9/20 0.35
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNA1H O95180 1/20 0.30
CACNA1I Q9P0X4 1/20 0.30

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
SCHEMBL4883619 0.87 AOC3 (0.35) AOC3MAPTMAOBTP53SMN1; SMN2
SCHEMBL4888161 0.82 RPS6KB2 (0.38) MAPTGAASMN1; SMN2MEN1ALDH1A1
SCHEMBL4888480 0.81 AOC3 (0.53) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL4882505 0.79 ALDH1A1 (0.39) AOC3MAPTMAOBMEN1ALDH1A1
SCHEMBL14281007 0.78 KDM4E (0.40) AOC3MAPTMAOBMEN1ALDH1A1
SCHEMBL17716402 0.66 SCN9A (0.36) AOC3MAPTGAASMN1; SMN2MEN1
SCHEMBL4889944 0.66 AOC3 (0.48) AOC3MAOBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL4882620 0.65 AOC3 (0.55) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL1443502 0.65 AOC3 (0.67) AOC3MAOB
SCHEMBL4887034 0.65 AOC3 (0.55) AOC3MAOBSMN1; SMN2KMT2A

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 5 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
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 163/4885MAPT 1178/4885GAA 4335/4885

“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.