SCHEMBL3932452

SCHEMBL3932452

CC(=O)Nc1nc(CCCc2ccc(C=O)cc2)cs1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.67
MAOB P27338 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL3933579 0.86 AOC3 (0.62) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3933584 0.86 AOC3 (0.62) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3932588 0.86 AOC3 (0.71) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3943351 0.85 AOC3 (0.69) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3939152 0.85 AOC3 (0.73) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL3939971 0.85 AOC3 (0.73) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL5550194 0.84 AOC3 (0.68) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3943479 0.84 AOC3 (0.68) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL5545444 0.83 AOC3 (0.59) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL5545443 0.83 AOC3 (0.59) 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 4 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
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 3666/4885SMN1; SMN2 1527/4885

“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.