SCHEMBL3743067

SCHEMBL3743067

CCCCc1nc(-c2ccc(OC(C)C)c(Cl)c2)no1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
MAP4K4 O95819 2/20 0.53
MINK1 Q8N4C8 2/20 0.53
PRKCD Q05655 1/20 0.53
S1PR1 P21453 11/20 0.52
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
MAPT P10636 3/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.48
MAPK1 P28482 2/20 0.48
S1PR3 Q99500 3/20 0.48
TSHR P16473 2/20 0.47
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
SCHEMBL3743601 0.97 TDP1 (0.52) TDP1MAP4K4MINK1PRKCDS1PR1
SCHEMBL3753896 0.95 TDP1 (0.51) TDP1MAP4K4MINK1PRKCDS1PR1
SCHEMBL3749362 0.93 MAP4K4 (0.54) TDP1MAP4K4MINK1PRKCDS1PR1
SCHEMBL3745599 0.88 MAP4K4 (0.56) TDP1MAP4K4MINK1PRKCDS1PR1
SCHEMBL3741627 0.87 MAP4K4 (0.53) TDP1MAP4K4MINK1PRKCDS1PR1
SCHEMBL3737025 0.87 L3MBTL1 (0.67) TDP1MAP4K4MINK1PRKCDS1PR1
SCHEMBL3742098 0.86 MAP4K4 (0.51) TDP1MAP4K4MINK1PRKCDS1PR1
SCHEMBL3744456 0.86 MAP4K4 (0.53) TDP1MAP4K4MINK1PRKCDS1PR1
SCHEMBL13045455 0.86 LMNA (0.54) TDP1MAP4K4MINK1PRKCDS1PR1
SCHEMBL3737101 0.85 L3MBTL1 (0.69) TDP1MAP4K4MINK1PRKCDS1PR1

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 TDP1 2946/4885MAP4K4 2535/4885MINK1 1243/4885

“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.