SCHEMBL3935005

SCHEMBL3935005

CC(=O)Nc1nc(CCc2ccc(CCNC3=NCCS3)cc2)cs1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.78
MAOB P27338 3/20 0.55
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL4875628 0.88 AOC3 (1.00) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL8934626 0.82 AOC3 (0.89) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3931011 0.80 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3939958 0.80 AOC3 (0.74) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3939953 0.79 AOC3 (0.73) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL4871898 0.78 AOC3 (0.71) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL4881057 0.78 AOC3 (0.64) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL972537 0.77 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL975119 0.77 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL971466 0.77 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA AOC3 386/4885MAOB 3666/4885TSHR 1241/4885

“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.