SCHEMBL3608346

SCHEMBL3608346

Cc1ccc(-c2nnc(-c3cccc(C#N)c3)o2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
ATR Q13535 2/20 0.49
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA4 P43681 1/20 0.46
APP P05067 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CLK4 Q9HAZ1 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 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
SCHEMBL3266198 0.85 CLK4 (0.53) CLK4ALDH1A1HSD17B10GABRG2GABRB3
SCHEMBL3610229 0.83 NOTUM (0.67) NOTUMATRCHRNB2CHRNA5CHRNA4
SCHEMBL3611591 0.83 NOTUM (0.50) NOTUMATRCHRNB2CHRNA5CHRNA4
SCHEMBL3606107 0.83 NPC1 (0.64) NOTUMATRCHRNB2CHRNA5CHRNA4
SCHEMBL1422802 0.82 CHRNB2 (0.71) CHRNB2CHRNA5CHRNA4SMN1; SMN2ALDH1A1
SCHEMBL1422883 0.81 CHRNB2 (0.67) NOTUMCHRNB2CHRNA5CHRNA4NPC1
SCHEMBL14804388 0.80 NPC1 (0.53) APPCA1CA2NPC1RAB9A
SCHEMBL13130245 0.79 NOTUM (0.58) NOTUMATRCHRNB2CHRNA5CHRNA4
SCHEMBL3615661 0.78 NPC1 (0.50) NOTUMATRCHRNB2CHRNA5CHRNA4
SCHEMBL3615921 0.77 NOTUM (0.55) NOTUMATRCHRNB2CHRNA5CHRNA4

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 6 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
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
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 NOTUM 1501/4885ATR 569/4885CHRNB2 13/4885

“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.