SCHEMBL4242085

SCHEMBL4242085

NNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.63
RAB9A P51151 7/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
MAPT P10636 3/20 0.63
HPGD P15428 2/20 0.63
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
TDP1 Q9NUW8 1/20 0.60
FADS1 O60427 1/20 0.60
PNLIP P16233 1/20 0.58
GRM4 Q14833 1/20 0.58
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.55
PTPRC P08575 2/20 0.53
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
HTT P42858 1/20 0.53
NFKB2 Q00653 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
SCHEMBL4033535 0.89 MEN1 (0.68) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4251978 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4239439 0.84 MEN1 (0.60) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL6819360 0.83 FADS1 (0.71) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4039307 0.83 MEN1 (0.59) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL13878279 0.83 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4247707 0.82 NPC1 (0.68) NPC1RAB9AMAPTKMT2APNLIP
SCHEMBL4245072 0.82 MEN1 (0.57) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL4033866 0.81 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL994062 0.79 GAA (0.64) 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 6 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
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.