SCHEMBL4877574

SCHEMBL4877574

CC(=O)Nc1nc(CCc2ccc(NC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)cc2)c(C(=O)NCCC(=O)N(C)Cc2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.38
KMT2A Q03164 3/20 0.36
RAB9A P51151 4/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 5/20 0.33
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL4982245 0.92 AOC3 (0.36) AOC3RAB9APOLBMAPT
SCHEMBL4990573 0.89 SCD (0.39) AOC3KMT2ARAB9APOLBMAPT
SCHEMBL4982416 0.88 AOC3 (0.35) AOC3RAB9APOLBMAPT
SCHEMBL4864961 0.88 SCD (0.42) AOC3RAB9APOLBMAPTRXFP1
SCHEMBL4986159 0.88 AOC3 (0.37) AOC3RXFP1
SCHEMBL4875737 0.87 SCD (0.40) AOC3RAB9APOLBMAPTRXFP1
SCHEMBL4985433 0.87 AOC3 (0.39) AOC3KMT2ARAB9APOLBMAPT
SCHEMBL4989625 0.87 AOC3 (0.34) AOC3RAB9APOLBMAPT
SCHEMBL4992580 0.87 TBK1 (0.34) AOC3RAB9APOLBMAPT
SCHEMBL4986016 0.86 AOC3 (0.36) AOC3RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 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-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885KMT2A 4395/4885RAB9A 1860/4885

“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.