SCHEMBL4241801

SCHEMBL4241801

NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.55
KCNK3 O14649 3/20 0.54
KCNK9 Q9NPC2 2/20 0.54
HDAC1 Q13547 1/20 0.51
PTPN1 P18031 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
TP53 P04637 1/20 0.49
SIRT1 Q96EB6 1/20 0.49

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 0.87 MEN1 (0.68) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4247707 0.82 NPC1 (0.68) NPC1RAB9AKMT2APKMKCNK3
SCHEMBL4244853 0.82 KMT2A (0.65) NPC1RAB9AKMT2AMEN1PKM
SCHEMBL4238913 0.81 RAB9A (0.66) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL8203978 0.81 RAB9A (1.00) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL7553405 0.81 KMT2A (0.61) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL30017323 0.80 NPC1 (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL21473657 0.80 NPC1 (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL4250855 0.79 KCNK3 (0.64) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL20522706 0.78 NPC1 (0.69) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 2045/4885KMT2A 2842/4885

“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.