SCHEMBL3736895

SCHEMBL3736895

Oc1ccc(-c2noc(-c3ccncc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.72
RAB9A P51151 13/20 0.72
MAPT P10636 6/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
HSD17B10 Q99714 1/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
LMNA P02545 2/20 0.64
TP53 P04637 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
HTT P42858 1/20 0.64
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
CA12 O43570 1/20 0.60

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
SCHEMBL5959967 0.89 SMN1; SMN2 (0.85) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL3052350 0.88 NPC1 (0.62) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL13416895 0.84 NPC1 (0.66) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL15706789 0.84 NR1H4 (0.71) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL2062609 0.84 NR1H4 (0.78) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL3061782 0.84 NR1H4 (0.78) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL12270961 0.83 NPC1 (0.54) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL19244915 0.82 ACHE (0.57) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL27001784 0.82 NPC1 (0.72) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL26095552 0.82 NR1H4 (0.70) NPC1RAB9AMAPTSMN1; SMN2NFKB1

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 2582/4885MAPT 4556/4885

“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.