SCHEMBL4247010

SCHEMBL4247010

COc1cc(NC(=O)C2CCCCC2)ccc1-c1nnc(SCc2ccccc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
STAT3 P40763 1/20 0.52
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
PIK3CG P48736 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GRM4 Q14833 1/20 0.47
KMT2A Q03164 1/20 0.46

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 0.87 HPGD (0.50) EGFRL3MBTL1LMNAHPGDALDH1A1
SCHEMBL4244775 0.87 EGFR (0.53) EGFRL3MBTL1HPGDALDH1A1SMN1; SMN2
SCHEMBL4242418 0.85 HPGD (0.65) EGFRLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL4244936 0.84 HPGD (0.48) EGFRL3MBTL1HPGDALDH1A1SMN1; SMN2
SCHEMBL4241857 0.82 HPGD (0.58) EGFRL3MBTL1LMNAHPGDALDH1A1
SCHEMBL4246429 0.82 CYP19A1 (0.48) L3MBTL1LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL4251580 0.80 EGFR (0.57) EGFRL3MBTL1LMNAHPGDALDH1A1
SCHEMBL13878314 0.80 POLB (0.51) L3MBTL1HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL16157038 0.73 EGFR (1.00) EGFRL3MBTL1HPGDALDH1A1SMN1; SMN2
SCHEMBL4244796 0.72 ALDH1A1 (0.53) HPGDALDH1A1SMN1; SMN2RAB9ANPC1

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 2607/4885L3MBTL1 4480/4885LMNA 3692/4885

“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.