SCHEMBL3746152

SCHEMBL3746152

Cc1ccccc1-c1noc(-c2ccc3occc3c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
RAB9A P51151 4/20 0.59
MAPT P10636 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
KMT2A Q03164 1/20 0.59
PKM P14618 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NR1H4 Q96RI1 3/20 0.58
S1PR1 P21453 8/20 0.54
TP53 P04637 2/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 2/20 0.53
RXFP1 Q9HBX9 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
SCHEMBL3746150 0.90 NPC1 (0.56) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL13417178 0.78 S1PR1 (0.62) NPC1SMN1; SMN2RAB9AMEN1CYP1A2
SCHEMBL21485722 0.77 NPC1 (0.77) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL14926437 0.75 S1PR1 (0.70) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL1421346 0.75 NPC1 (0.69) NPC1SMN1; SMN2RAB9AMAPTNFKB1
SCHEMBL13525245 0.75 NPC1 (0.80) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL21480513 0.75 SMN1; SMN2 (0.73) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL13417103 0.74 NR1H4 (0.65) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL28889005 0.73 S1PR1 (0.58) NPC1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL25856984 0.73 NPC1 (0.54) NPC1SMN1; SMN2RAB9AMAPTMEN1

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 2 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-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US 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.