SCHEMBL3607989

SCHEMBL3607989

N#Cc1ccc(-c2nnc(-c3cccnc3)o2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.58
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 5/20 0.58
HPGD P15428 4/20 0.58
HSD17B10 Q99714 4/20 0.58
NPC1 O15118 7/20 0.51
CA2 P00918 1/20 0.49
CYP2C19 P33261 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.45
MAPK1 P28482 3/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
PTGS2 P35354 1/20 0.43
CYP2D6 P10635 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
SCHEMBL19745884 0.85 CYP2A6 (0.56) ALDH1A1KDM4EHPGDHSD17B10CYP2C19
SCHEMBL2460752 0.80 CHRNB2 (0.58) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2042242 0.80 HDAC4 (0.38) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3607647 0.79 KDM4E (0.51) RAB9AALDH1A1KDM4EHSD17B10NPC1
SCHEMBL2039702 0.78 INPPL1 (0.41) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2042399 0.78 CYP11B1 (0.42) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2274986 0.78 NPC1 (0.76) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2038959 0.78 RAB9A (0.55) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2040907 0.77 RAB9A (0.54) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2042773 0.77 CYP11B2 (0.39) RAB9AALDH1A1KDM4EHPGDHSD17B10

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 RAB9A 3855/4885ALDH1A1 1090/4885KDM4E 3713/4885

“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.