SCHEMBL5550205

SCHEMBL5550205

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)(N(C(=O)O)C(C)(C)C)C(C)(C)C)cc2)c(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.37
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DYRK1A Q13627 1/20 0.33
PLTP P55058 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5545492 0.92 AOC3 (0.40) AOC3
SCHEMBL5545483 0.92 AOC3 (0.40) AOC3
SCHEMBL5551582 0.90 AOC3 (0.47) AOC3
SCHEMBL4988537 0.87 AOC3 (0.41) AOC3
SCHEMBL4990208 0.85 AOC3 (0.42) AOC3
SCHEMBL4871878 0.85 AOC3 (0.42) AOC3
SCHEMBL5545451 0.84 AOC3 (0.39) AOC3
SCHEMBL5550201 0.83 AOC3 (0.39) AOC3CSNK2A2CSNK2BCSNK2A1DYRK1A
SCHEMBL4991267 0.82 PPARA (0.42) AOC3CSNK2A2CSNK2BCSNK2A1DYRK1A
SCHEMBL3931989 0.81 AOC3 (0.39) AOC3CSNK2A2CSNK2BCSNK2A1DYRK1A

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 386/4885CSNK2A2 3888/4885CSNK2B 3900/4885

“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.