SCHEMBL4238253

SCHEMBL4238253

CCc1cc(C(=O)NN)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 1/20 0.49
RXFP1 Q9HBX9 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
F2R P25116 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KCNMA1 Q12791 1/20 0.46
KDM4E B2RXH2 3/20 0.46
CNR2 P34972 1/20 0.45

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
SCHEMBL4244885 0.87 KLK1 (0.54) L3MBTL1GAAKMT2AMEN1TDP1
SCHEMBL4246567 0.86 ALDH1A1 (0.61) L3MBTL1GAARXFP1KMT2AMEN1
SCHEMBL4243563 0.86 KLK1 (0.51) L3MBTL1GAAKMT2AMEN1TDP1
SCHEMBL7853474 0.84 GAA (0.51) L3MBTL1GAARXFP1KMT2AMEN1
SCHEMBL18083797 0.81 GAA (0.50) L3MBTL1GAARXFP1KMT2AMEN1
SCHEMBL4242557 0.76 MEN1 (0.75) L3MBTL1RXFP1KMT2AMEN1TDP1
SCHEMBL4039307 0.75 MEN1 (0.59) L3MBTL1KMT2AMEN1TDP1TP53
SCHEMBL994062 0.73 GAA (0.64) L3MBTL1GAAKMT2AMEN1TDP1
SCHEMBL4238456 0.72 ALDH1A1 (0.67) L3MBTL1GAAKMT2AMEN1TDP1
Water SCHEMBL30746017 0.72 GAA (0.62) L3MBTL1GAAKMT2AMEN1TDP1

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 L3MBTL1 4480/4885GAA 1551/4885RXFP1 691/4885

“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.