SCHEMBL4247707

SCHEMBL4247707

NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.68
RAB9A P51151 4/20 0.68
SMO Q99835 1/20 0.61
KCNK3 O14649 3/20 0.61
KCNK9 Q9NPC2 3/20 0.61
MAPT P10636 3/20 0.59
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.56
TP53 P04637 1/20 0.55
KDM4E B2RXH2 1/20 0.55
GRM4 Q14833 1/20 0.53
PNLIP P16233 1/20 0.53
CHRM1 P11229 1/20 0.52

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
SCHEMBL8280277 0.85 NPC1 (0.71) NPC1RAB9ASMOKCNK3KCNK9
SCHEMBL4241801 0.82 NPC1 (0.68) NPC1RAB9AKCNK3KCNK9MAPT
SCHEMBL4242085 0.82 NPC1 (0.63) NPC1RAB9AMAPTKMT2ATP53
SCHEMBL13689968 0.81 NPC1 (0.66) NPC1RAB9ASMOKCNK3KCNK9
SCHEMBL4241238 0.81 KMT2A (0.68) NPC1RAB9ASMOKCNK3KCNK9
SCHEMBL30369807 0.81 NPC1 (1.00) NPC1RAB9ASMOKCNK3KCNK9
SCHEMBL4254257 0.81 NPC1 (1.00) NPC1RAB9ASMOKCNK3KCNK9
SCHEMBL7553405 0.81 KMT2A (0.61) NPC1RAB9AKCNK3KCNK9MAPT
SCHEMBL11322912 0.80 RAB9A (0.73) NPC1RAB9ASMOKCNK3KCNK9
SCHEMBL4244853 0.79 KMT2A (0.65) NPC1RAB9AKCNK3KCNK9MAPT

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 2045/4885SMO 1718/4885

“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.