SCHEMBL4246924

SCHEMBL4246924

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TSHR P16473 3/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 7/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.47
EGFR P00533 4/20 0.47
NPC1 O15118 3/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.44
AURKA O14965 1/20 0.44
GSK3A P49840 1/20 0.44

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
SCHEMBL4244775 0.89 EGFR (0.53) HPGDSMN1; SMN2TSHRUSP2POLB
SCHEMBL4244936 0.87 HPGD (0.48) HPGDSMN1; SMN2TSHRUSP2POLB
SCHEMBL4247010 0.87 EGFR (0.56) HPGDSMN1; SMN2TSHRUSP2POLB
SCHEMBL4241857 0.85 HPGD (0.58) HPGDSMN1; SMN2TSHRUSP2POLB
SCHEMBL4247100 0.83 ALDH1A1 (0.67) HPGDSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL4238834 0.81 HPGD (0.49) HPGDSMN1; SMN2TSHRUSP2POLB
SCHEMBL4245363 0.79 CHRNA7 (0.55) HPGDSMN1; SMN2TSHRHSD17B10L3MBTL1
SCHEMBL13878321 0.78 HPGD (0.51) HPGDSMN1; SMN2TSHRUSP2POLB
SCHEMBL16157027 0.74 EGFR (0.70) HPGDSMN1; SMN2TSHRPOLBL3MBTL1
SCHEMBL4247699 0.71 HPGD (0.67) HPGDSMN1; SMN2TSHRHSD17B10L3MBTL1

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 HPGD 1075/4885SMN1; SMN2 1002/4885TSHR 337/4885

“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.