SCHEMBL4031637

SCHEMBL4031637

COC(=O)c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.65
NPC1 O15118 6/20 0.65
ATM Q13315 1/20 0.65
MAPT P10636 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 3/20 0.61
KDM4E B2RXH2 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
MAPK1 P28482 2/20 0.58
JAK2 O60674 1/20 0.58
JAK1 P23458 1/20 0.58
TYK2 P29597 1/20 0.58
NOD2 Q9HC29 1/20 0.58
PTPN1 P18031 1/20 0.57
TP53 P04637 2/20 0.57
ALDH1A1 P00352 2/20 0.57

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
SCHEMBL28715751 0.87 RAB9A (0.65) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL4769885 0.84 IL2 (0.65) RAB9ANPC1ATMMEN1KMT2A
SCHEMBL3994741 0.83 ALDH1A1 (0.76) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL8226873 0.82 RAB9A (0.53) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL4241893 0.82 KMT2A (0.79) RAB9ANPC1ATMMAPTSMN1; SMN2
SCHEMBL1641874 0.81 RAB9A (0.62) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL1641773 0.81 IL2 (0.56) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL7926602 0.80 JAK2 (0.56) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL30739821 0.80 JAK2 (0.69) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL8660366 0.79 NPC1 (0.83) RAB9ANPC1ATMMAPTSMN1; 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
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
EP-2021331-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-02-11 EP 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
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 RAB9A 2045/4885NPC1 1641/4885ATM 3200/4885

“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.