SCHEMBL3608623

SCHEMBL3608623

N#Cc1cccc(-c2nnc(-c3cccnc3)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNA5 P30532 2/20 0.54
CHRNA4 P43681 2/20 0.54
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP11B2 P19099 3/20 0.51
CYP11B1 P15538 2/20 0.51
CYP17A1 P05093 1/20 0.51
NEK1 Q96PY6 1/20 0.48
CLK4 Q9HAZ1 4/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP19A1 P11511 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
IDO1 P14902 1/20 0.46
BLM P54132 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 3/20 0.44

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
SCHEMBL3615813 0.87 CLK4 (0.55) CLK4HRH3IDO1BLMHSD17B10
SCHEMBL29809001 0.82 CYP11B2 (0.71) CHRNB2CHRNA5CHRNA4CYP11B2CYP11B1
SCHEMBL13537172 0.82 CYP11B2 (0.71) CHRNB2CHRNA5CHRNA4CYP11B2CYP11B1
SCHEMBL1424931 0.80 KDM4E (0.75) KDM4ESMN1; SMN2MEN1NPC1RAB9A
SCHEMBL1422883 0.78 CHRNB2 (0.67) CHRNB2CHRNA5CHRNA4KDM4ESMN1; SMN2
SCHEMBL8966489 0.77 KDM4E (0.59) KDM4ESMN1; SMN2CLK4MEN1KMT2A
SCHEMBL3607647 0.75 KDM4E (0.51) KDM4ESMN1; SMN2CYP11B2MEN1NPC1
SCHEMBL12278703 0.74 KDM4E (0.66) KDM4ESMN1; SMN2MEN1NPC1RAB9A
SCHEMBL9973723 0.73 KDM4E (0.53) KDM4ESMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4326951 0.73 CHRNB2 (0.64) CHRNB2CHRNA5CHRNA4CYP11B2CYP11B1

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 11 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
US-20100029685-A1 OXADIAZOLE AND THIADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2010-02-04 US disclosed
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
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 CHRNB2 13/4885CHRNA5 2/4885CHRNA4 6/4885

“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.