SCHEMBL4245072

SCHEMBL4245072

NNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
PTGS1 P23219 1/20 0.54
LMNA P02545 2/20 0.54
TLR8 Q9NR97 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
PTPRC P08575 3/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
HTT P42858 1/20 0.51
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
CTSL P07711 1/20 0.51
PTPN1 P18031 1/20 0.51

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 0.86 MEN1 (0.68) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL4244853 0.84 KMT2A (0.65) MEN1KMT2ANPC1RAB9APTGS1
SCHEMBL6814369 0.84 MEN1 (0.60) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL4238574 0.84 ALDH1A1 (0.61) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL17664532 0.82 KMT2A (0.57) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL4239439 0.82 MEN1 (0.60) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL4242085 0.82 NPC1 (0.63) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL4039307 0.81 MEN1 (0.59) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL4033866 0.79 NPC1 (0.66) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL7078687 0.79 KMT2A (0.56) MEN1KMT2ATDP1NPC1RAB9A

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 MEN1 4763/4885KMT2A 2842/4885TDP1 1486/4885

“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.