SCHEMBL4033527

SCHEMBL4033527

O=C(Nc1ccc(-c2nnc(SCc3ccccc3)o2)c(F)c1)c1ccccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.60
HPGD P15428 5/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 1/20 0.54
CHRNA7 P36544 2/20 0.53
KCNH2 Q12809 2/20 0.53
CHRNA1 P02708 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CHRNB2 P17787 1/20 0.51
CYP2C19 P33261 1/20 0.51
CHRNA4 P43681 1/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL4245363 0.92 CHRNA7 (0.55) EGFRHPGDMAPTALDH1A1KDM4E
SCHEMBL4246365 0.91 CHRNA7 (0.55) EGFRHPGDMAPTALDH1A1KDM4E
SCHEMBL4247699 0.90 HPGD (0.67) EGFRHPGDMAPTALDH1A1KDM4E
SCHEMBL4247067 0.90 CHRNA7 (0.56) EGFRHPGDMAPTALDH1A1KDM4E
SCHEMBL4251580 0.89 EGFR (0.57) EGFRHPGDMAPTALDH1A1KDM4E
SCHEMBL4033854 0.87 NPC1 (0.58) EGFRHPGDMAPTALDH1A1KDM4E
SCHEMBL4244775 0.81 EGFR (0.53) EGFRHPGDMAPTALDH1A1KDM4E
SCHEMBL4036871 0.80 CHRNA7 (0.52) MAPTKDM4ECHRNA7KCNH2CHRNA1
SCHEMBL13878309 0.79 CHRNA7 (0.57) HPGDMAPTALDH1A1KDM4ELMNA
SCHEMBL4247100 0.78 ALDH1A1 (0.67) EGFRHPGDMAPTALDH1A1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495465-A 2-phenyl-5-amino-1,3,4-oxadiazoles and their use as nicotinic acetylcholine receptor ligands GLAXO GROUP LTD (GB) 2009-07-29 CN 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
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
EP-2021331-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-02-11 EP 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
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 1075/4885MAPT 659/4885

“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.