SCHEMBL4244885

SCHEMBL4244885

NNC(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK1 P06870 1/20 0.54
KLK5 Q9Y337 1/20 0.54
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
RAB9A P51151 3/20 0.51
KCNMA1 Q12791 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL4243563 0.88 KLK1 (0.51) KLK1KLK5KMT2AMEN1TDP1
SCHEMBL4238253 0.87 L3MBTL1 (0.49) KMT2AMEN1TDP1RAB9AKCNMA1
SCHEMBL4238456 0.82 ALDH1A1 (0.67) KLK1KLK5KMT2AMEN1TDP1
SCHEMBL4242557 0.81 MEN1 (0.75) KMT2AMEN1TDP1RAB9AALDH1A1
SCHEMBL30599567 0.80 MAPT (0.71) KMT2AMEN1TDP1RAB9AKCNMA1
SCHEMBL15463572 0.78 HTT (0.70) KMT2AMEN1TDP1RAB9AKCNMA1
SCHEMBL994062 0.78 GAA (0.64) KMT2AMEN1TDP1RAB9AALDH1A1
Water SCHEMBL30746017 0.76 GAA (0.62) KMT2AMEN1TDP1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL30605742 0.76 GAA (0.62) KMT2AMEN1TDP1RAB9AALDH1A1
SCHEMBL22871359 0.74 PTGFR (0.49) KLK1KLK5KMT2AMEN1RAB9A

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 KLK1 3983/4885KLK5 2817/4885KMT2A 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.