SCHEMBL4870735

SCHEMBL4870735

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.36
TBK1 Q9UHD2 2/20 0.35
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 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
SCHEMBL4866127 0.99 TBK1 (0.36) AOC3TBK1MEN1CYP1A2CYP2C9
SCHEMBL4871739 0.97 AOC3 (0.36) AOC3TBK1MEN1CYP1A2CYP2C9
SCHEMBL4874963 0.94 AOC3 (0.37) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4990497 0.89 AOC3 (0.37) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4875929 0.89 AOC3 (0.38) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4875954 0.88 AOC3 (0.40) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4989625 0.86 AOC3 (0.34) AOC3TBK1
SCHEMBL4985433 0.86 AOC3 (0.39) AOC3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4992580 0.85 TBK1 (0.34) AOC3TBK1
SCHEMBL14019589 0.85 AOC3 (0.39) AOC3TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 EP disclosed
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
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 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 (2 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 782/4885TBK1 1025/4885MEN1 2478/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 AOC3 782/4885TBK1 1025/4885MEN1 2478/4885

“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.