SCHEMBL3736902

SCHEMBL3736902

CCOCCCOc1ccc(-c2noc(-c3ccccc3C)n2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
RAB9A P51151 6/20 0.51
TP53 P04637 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 2/20 0.48
MAPK1 P28482 1/20 0.48
S1PR1 P21453 6/20 0.47
TDP1 Q9NUW8 2/20 0.46
S1PR3 Q99500 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
THRB P10828 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TTR P02766 1/20 0.43

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
SCHEMBL3734547 0.91 NPC1 (0.54) NPC1SMN1; SMN2RAB9ATP53MEN1
SCHEMBL3740530 0.90 NPC1 (0.56) NPC1SMN1; SMN2RAB9ATP53MEN1
SCHEMBL3753897 0.90 NPC1 (0.53) NPC1SMN1; SMN2RAB9ATP53MEN1
SCHEMBL13078653 0.89 NPC1 (0.55) NPC1SMN1; SMN2RAB9ATP53MEN1
SCHEMBL3743593 0.89 NPC1 (0.52) NPC1SMN1; SMN2RAB9ATP53MEN1
SCHEMBL3739651 0.85 NPC1 (0.50) NPC1SMN1; SMN2RAB9ATP53MEN1
SCHEMBL3746193 0.84 NPC1 (0.52) NPC1SMN1; SMN2RAB9ATP53MEN1
SCHEMBL3742038 0.84 NPC1 (0.52) NPC1SMN1; SMN2RAB9ATP53MEN1
SCHEMBL3741094 0.84 NPC1 (0.52) NPC1SMN1; SMN2RAB9ATP53MEN1
SCHEMBL3749554 0.84 NPC1 (0.52) NPC1SMN1; SMN2RAB9ATP53MEN1

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 claimed
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 (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 1268/4885SMN1; SMN2 3564/4885RAB9A 2582/4885

“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.