SCHEMBL4033866

SCHEMBL4033866

COc1cc(NC(=O)c2ccccc2F)ccc1C(=O)NN

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.66
RAB9A P51151 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
MAPT P10636 1/20 0.66
HPGD P15428 1/20 0.66
KMT2A Q03164 8/20 0.63
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 3/20 0.63
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
CTSD P07339 1/20 0.57
MEN1 O00255 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 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
SCHEMBL4245850 0.88 RAB9A (0.59) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL3997094 0.87 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4033535 0.85 MEN1 (0.68) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6816627 0.85 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4250855 0.83 KCNK3 (0.64) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL4239439 0.83 MEN1 (0.60) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4039307 0.82 MEN1 (0.59) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL1186262 0.81 MCHR1 (0.71)
SCHEMBL4239634 0.81 RAB9A (0.55) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL4242085 0.81 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTHPGD

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
WO-2009071519-A9 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-12-03 WO disclosed
WO-2009071519-A1 OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2009-06-11 WO disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
EP-2021331-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-02-11 EP disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 WO disclosed
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 NPC1 1641/4885RAB9A 2045/4885SMN1; SMN2 1002/4885

“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.