SCHEMBL1966492

SCHEMBL1966492

CC(C)Oc1ccc(-c2noc(-c3ccc(N)cc3Cl)n2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.56
MAP4K4 O95819 3/20 0.54
MINK1 Q8N4C8 3/20 0.54
PRKCD Q05655 1/20 0.54
THRB P10828 1/20 0.54
S1PR3 Q99500 4/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
S1PR5 Q9H228 1/20 0.50
DYRK3 O43781 1/20 0.48
MARK3 P27448 1/20 0.48
PLK1 P53350 1/20 0.48
MAP4K5 Q9Y4K4 1/20 0.48

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
SCHEMBL12581668 0.91 S1PR1 (0.55) S1PR1MAP4K4MINK1PRKCDTHRB
SCHEMBL12581988 0.90 THRB (0.54) S1PR1MAP4K4MINK1PRKCDTHRB
SCHEMBL12581935 0.90 MAP4K4 (0.56) S1PR1MAP4K4MINK1PRKCDTHRB
SCHEMBL3741859 0.88 S1PR1 (0.58) S1PR1MAP4K4MINK1PRKCDTHRB
SCHEMBL12582117 0.88 MAP4K4 (0.53) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL1965912 0.88 MAP4K4 (0.64) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL1967106 0.86 S1PR1 (0.56) S1PR1MAP4K4MINK1PRKCDTHRB
SCHEMBL12581993 0.84 S1PR1 (0.66) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3741047 0.84 S1PR1 (0.73) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL14176549 0.84 S1PR1 (0.61) S1PR1MAP4K4MINK1PRKCDS1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US claimed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO 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
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 (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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 S1PR1 2/4885MAP4K4 2535/4885MINK1 1243/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 S1PR1 2/4885MAP4K4 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.