SCHEMBL3740135

SCHEMBL3740135

CC(C)Oc1ccc(-c2noc(-c3cccnc3)n2)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
MAPT P10636 5/20 0.61
S1PR1 P21453 8/20 0.59
MAP4K4 O95819 2/20 0.57
MINK1 Q8N4C8 2/20 0.57
PRKCD Q05655 1/20 0.57
TP53 P04637 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CHRNB2 P17787 1/20 0.56
CHRNA5 P30532 1/20 0.56
CHRNA4 P43681 1/20 0.56
S1PR3 Q99500 1/20 0.54
ALDH1A1 P00352 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL3741171 0.87 MAP4K4 (0.65) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3741047 0.87 S1PR1 (0.73) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3740117 0.86 MAP4K4 (0.64) NPC1RAB9ASMN1; SMN2MAPTS1PR1
SCHEMBL1966130 0.84 S1PR1 (0.56) NPC1RAB9ASMN1; SMN2S1PR1MAP4K4
SCHEMBL3746233 0.84 MAPT (0.68) NPC1SMN1; SMN2MAPTS1PR1MAP4K4
SCHEMBL3740621 0.84 MAP4K4 (0.61) S1PR1MAP4K4MINK1PRKCDS1PR3
SCHEMBL3747235 0.84 MAP4K4 (0.61) NPC1RAB9ASMN1; SMN2MAPTS1PR1
SCHEMBL3750156 0.83 MAP4K4 (0.56) NPC1RAB9ASMN1; SMN2MAPTS1PR1
SCHEMBL1969145 0.82 S1PR1 (0.54) NPC1RAB9AS1PR1MAP4K4MINK1
SCHEMBL3745535 0.82 S1PR1 (0.64) 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 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 NPC1 1268/4885RAB9A 2582/4885SMN1; SMN2 3564/4885

“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.