SCHEMBL3611591

SCHEMBL3611591

N#Cc1cccc(-c2nnc(-c3ccc(F)nc3)o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
ATR Q13535 2/20 0.49
GABRG2 P18507 6/20 0.47
GABRB3 P28472 6/20 0.47
GABRA5 P31644 6/20 0.47
GABRA3 P34903 6/20 0.47
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 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPY5R Q15761 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 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
SCHEMBL4021783 0.85 CYP11B2 (0.56) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL3619213 0.84 NOTUM (0.49) NOTUMATRNPC1RAB9AALDH1A1
SCHEMBL3610229 0.83 NOTUM (0.67) NOTUMATRGABRG2GABRB3GABRA5
SCHEMBL3608346 0.83 NOTUM (0.50) NOTUMATRGABRG2GABRB3GABRA5
SCHEMBL3606107 0.83 NPC1 (0.64) NOTUMATRGABRG2GABRB3GABRA5
SCHEMBL1422403 0.82 CHRNB2 (0.60) GABRG2GABRB3GABRA5GABRA3CLK4
SCHEMBL3612931 0.80 MMP3 (0.46) ATRCA1CA2CA9CA13
SCHEMBL3601860 0.78 NOTUM (0.51) NOTUMATRGABRG2GABRB3GABRA5
SCHEMBL1422883 0.78 CHRNB2 (0.67) NOTUMNPC1RAB9AALDH1A1HPGD
SCHEMBL2035532 0.77 ATR (0.46) ATRCA1CA2CA9CA13

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 569/4885GABRG2 981/4885

“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.