SCHEMBL4875643

SCHEMBL4875643

CC(=O)Nc1nc(CCc2ccc(N(C(=O)O)C(C)(C)C)cc2)c(C(=O)NCC(=O)N(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL4875983 0.91 AOC3 (0.38) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4875622 0.88 AOC3 (0.40) AOC3
SCHEMBL4983295 0.87 AOC3 (0.42) AOC3ALDH1A1KDM4E
SCHEMBL4982462 0.86 SCD (0.46) AOC3ALDH1A1LMNANPSR1RXFP1
SCHEMBL4986016 0.85 AOC3 (0.36) AOC3ALDH1A1LMNAKDM4ENPSR1
SCHEMBL4988118 0.85 AOC3 (0.41) AOC3ALDH1A1LMNAKDM4ENPSR1
SCHEMBL6463171 0.84 AOC3 (0.44) AOC3ALDH1A1LMNAKDM4ENPSR1
Hydrochloric Acid SCHEMBL4869397 0.84 AOC3 (0.43) AOC3MAOB
SCHEMBL4991524 0.83 AOC3 (0.40) AOC3
SCHEMBL4875577 0.83 PPARA (0.44) AOC3

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 782/4885ALDH1A1 930/4885LMNA 2047/4885

“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.