SCHEMBL4244775

SCHEMBL4244775

O=C(Nc1ccc(-c2nnc(SCc3ccccc3)o2)c(F)c1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.53
HPGD P15428 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
AURKA O14965 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
MAPK1 P28482 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.43
CPB1 P15086 1/20 0.43

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
SCHEMBL4246924 0.89 HPGD (0.50) EGFRHPGDL3MBTL1TSHRSMN1; SMN2
SCHEMBL4244936 0.89 HPGD (0.48) EGFRHPGDL3MBTL1TSHRSMN1; SMN2
SCHEMBL4247010 0.87 EGFR (0.56) EGFRHPGDL3MBTL1TSHRSMN1; SMN2
SCHEMBL4241857 0.85 HPGD (0.58) EGFRHPGDL3MBTL1TSHRSMN1; SMN2
SCHEMBL4247699 0.83 HPGD (0.67) EGFRHPGDL3MBTL1TSHRSMN1; SMN2
SCHEMBL4033527 0.81 EGFR (0.60) EGFRHPGDL3MBTL1TSHRSMN1; SMN2
SCHEMBL4242075 0.81 HPGD (0.49) HPGDL3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL13878311 0.78 HPGD (0.51) HPGDL3MBTL1TSHRSMN1; SMN2HSD17B10
SCHEMBL4245363 0.73 CHRNA7 (0.55) EGFRHPGDL3MBTL1TSHRSMN1; SMN2
SCHEMBL4246365 0.73 CHRNA7 (0.55) EGFRHPGDL3MBTL1TSHRSMN1; 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 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 EGFR 2607/4885HPGD 1075/4885L3MBTL1 4480/4885

“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.