SCHEMBL3612124

SCHEMBL3612124

O=[N+]([O-])c1cccc(-c2nnc(-c3cccnc3)o2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.72
RAB9A P51151 6/20 0.72
MAPT P10636 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
ALDH1A1 P00352 3/20 0.72
CHRNB2 P17787 1/20 0.67
CHRNA5 P30532 1/20 0.67
CHRNA4 P43681 1/20 0.67
POLB P06746 1/20 0.66
KDM4E B2RXH2 3/20 0.65
HTT P42858 1/20 0.65
GFER P55789 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
CA2 P00918 2/20 0.61
CA1 P00915 1/20 0.61
CA9 Q16790 1/20 0.61
CA13 Q8N1Q1 1/20 0.61
PTGS2 P35354 1/20 0.57
PDE4A P27815 1/20 0.53
PDE4C Q08493 1/20 0.53

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
SCHEMBL10245542 0.84 NPC1 (1.00) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2080546 0.84 CHRNB2 (0.66) RAB9AMAPTALDH1A1CHRNB2CHRNA5
SCHEMBL38657864 0.83 CHRNB2 (0.62) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2462961 0.80 CHRNB2 (0.90) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1422941 0.80 CHRNB2 (1.00) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3757160 0.80 RAB9A (0.76) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL656666 0.80 NPC1 (0.76) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7531870 0.79 NPC1 (0.78) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL2837185 0.78 RAB9A (0.73) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL4607599 0.78 RAB9A (0.73) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US claimed
CN-101553486-A Oxadiazole and thiadiazole compounds and their use as nicotinic acetylcholine receptor modulators NEUROSEARCH AS (DK) 2009-10-07 CN claimed
EP-2079734-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2009-07-22 EP claimed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 WO claimed
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
CN-101553486-A Oxadiazole and thiadiazole compounds and their use as nicotinic acetylcholine receptor modulators NEUROSEARCH AS (DK) 2009-10-07 CN disclosed
EP-2079734-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch A/S (DK) 2009-07-22 EP disclosed
WO-2008049864-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2008-05-02 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-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA5, CHRNB3 NPC1 4031/4885RAB9A 3855/4885MAPT 1001/4885

“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.