SCHEMBL5545443

SCHEMBL5545443

CC/C(=C\c1ccc(CCCc2csc(NC(C)=O)n2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.59
MAOB P27338 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL5545444 1.00 AOC3 (0.59) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3932452 0.83 AOC3 (0.67) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3933579 0.82 AOC3 (0.62) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3933584 0.82 AOC3 (0.62) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL5550194 0.80 AOC3 (0.68) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL27646789 0.80 AOC3 (0.68) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3932588 0.80 AOC3 (0.71) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3939971 0.79 AOC3 (0.73) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL3939152 0.79 AOC3 (0.73) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL3943351 0.79 AOC3 (0.69) 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 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 3666/4885SMN1; 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.