SCHEMBL4238192

SCHEMBL4238192

COC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
LMNA P02545 3/20 0.64
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
KCNK3 O14649 2/20 0.56
KDM4E B2RXH2 1/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
PKM P14618 1/20 0.55
CYP1A2 P05177 1/20 0.54
ALDH1A1 P00352 1/20 0.53
KDR P35968 1/20 0.53
NFKB1 P19838 1/20 0.52
HTT P42858 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
SCHEMBL4245883 0.88 NPC1 (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4243038 0.86 RAB9A (0.65) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4246500 0.85 KDM4E (0.64) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4543393 0.85 RAB9A (0.61) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4253877 0.84 POLB (0.64) RAB9AKMT2AMEN1LMNAKCNK3
SCHEMBL4241893 0.81 KMT2A (0.79) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1816127 0.81 MEN1 (0.84) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1184165 0.80 MCHR1 (0.72)
SCHEMBL3997094 0.80 NPC1 (0.69) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4252222 0.79 RAB9A (0.62) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.