SCHEMBL3746233

SCHEMBL3746233

CC(C)Oc1ccc(-c2noc(-c3cccc(Cl)c3)n2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.68
TSHR P16473 2/20 0.68
NPC1 O15118 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
S1PR1 P21453 15/20 0.64
MAP4K4 O95819 2/20 0.59
MINK1 Q8N4C8 2/20 0.59
PRKCD Q05655 1/20 0.59
S1PR3 Q99500 3/20 0.58
TP53 P04637 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL3741047 0.91 S1PR1 (0.73) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3741171 0.89 MAP4K4 (0.65) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL14176549 0.88 S1PR1 (0.61) MAPTTSHRNPC1SMN1; SMN2S1PR1
SCHEMBL3736292 0.86 S1PR1 (0.59) MAPTTSHRNPC1SMN1; SMN2S1PR1
SCHEMBL13045365 0.86 S1PR1 (0.64) SMN1; SMN2S1PR1MAP4K4MINK1PRKCD
SCHEMBL1970427 0.85 S1PR1 (0.61) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3734870 0.85 NPSR1 (0.67) MAPTNPC1SMN1; SMN2S1PR1MAP4K4
SCHEMBL3745535 0.84 S1PR1 (0.64) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL1969022 0.84 NPC1 (0.61) NPC1S1PR1MAP4K4MINK1PRKCD
SCHEMBL1968050 0.84 S1PR1 (0.56) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US claimed
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-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

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 MAPT 4556/4885TSHR 1235/4885NPC1 1268/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 MAPT 4556/4885TSHR 1235/4885NPC1 1268/4885

“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.