SCHEMBL3743573

SCHEMBL3743573

CC(C)Cc1nc(-c2ccc(OC(C)C)c(Cl)c2)no1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.58
MINK1 Q8N4C8 3/20 0.58
PRKCD Q05655 1/20 0.58
S1PR1 P21453 14/20 0.54
SCN5A Q14524 2/20 0.51
SCN10A Q9Y5Y9 2/20 0.51
S1PR3 Q99500 3/20 0.50
DYRK3 O43781 1/20 0.47
MARK3 P27448 1/20 0.47
PLK1 P53350 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
S1PR5 Q9H228 1/20 0.46

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
SCHEMBL3745599 0.89 MAP4K4 (0.56) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL4384960 0.88 MAP4K4 (0.52) MAP4K4MINK1PRKCDS1PR1SCN5A
SCHEMBL3741627 0.88 MAP4K4 (0.53) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3740654 0.88 MAP4K4 (0.55) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3749362 0.86 MAP4K4 (0.54) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3747416 0.86 MAPK1 (0.58) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3740077 0.85 MAP4K4 (0.53) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3736447 0.85 MAP4K4 (0.53) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL13045319 0.84 MAP4K4 (0.53) MAP4K4MINK1PRKCDS1PR1S1PR3
SCHEMBL3737117 0.84 MAP4K4 (0.53) MAP4K4MINK1PRKCDS1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO 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-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 MAP4K4 2535/4885MINK1 1243/4885PRKCD 614/4885

“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.