SCHEMBL3734547

SCHEMBL3734547

CCCCOc1ccc(-c2noc(-c3ccccc3C)n2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
RAB9A P51151 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 2/20 0.54
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.51
S1PR1 P21453 7/20 0.49
TDP1 Q9NUW8 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 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
SCHEMBL3753897 0.97 NPC1 (0.53) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3743593 0.96 NPC1 (0.52) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL13078653 0.94 NPC1 (0.55) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3736902 0.91 NPC1 (0.51) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3740530 0.90 NPC1 (0.56) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3739651 0.88 NPC1 (0.50) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3741094 0.87 NPC1 (0.52) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3742038 0.87 NPC1 (0.52) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3749554 0.87 NPC1 (0.52) NPC1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL3746193 0.87 NPC1 (0.52) NPC1SMN1; SMN2RAB9AMEN1KMT2A

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.