SCHEMBL4246981

SCHEMBL4246981

O=C(Nc1ccc(-c2nnc(S(=O)(=O)Cc3ccccc3)o2)c(F)c1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.51
KCNH2 Q12809 3/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ACE2 Q9BYF1 1/20 0.43
CXCR2 P25025 1/20 0.42
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
CHRNA1 P02708 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRNB2 P17787 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA4 P43681 1/20 0.41
POLB P06746 2/20 0.40
CASP3 P42574 2/20 0.39

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
SCHEMBL4036871 0.90 CHRNA7 (0.52) CHRNA7KCNH2NPC1RAB9AMAPT
SCHEMBL4250780 0.88 RAB9A (0.47) NPC1RAB9AACE2HPGDMAPT
SCHEMBL4247364 0.87 MAPT (0.47) CHRNA7KCNH2NPC1RAB9AACE2
SCHEMBL4242075 0.83 HPGD (0.49) CHRNA7KCNH2HPGDMAPTALDH1A1
SCHEMBL4242232 0.83 ALDH1A1 (0.52) CHRNA7KCNH2NPC1RAB9AHPGD
SCHEMBL4247033 0.82 CHRNA7 (0.54) CHRNA7KCNH2NPC1RAB9AHPGD
SCHEMBL4242077 0.82 CHRNA7 (0.56) CHRNA7KCNH2NPC1RAB9AHPGD
SCHEMBL4243114 0.81 CHRNA7 (0.55) CHRNA7KCNH2NPC1RAB9AMAPT
SCHEMBL13878330 0.81 CHRNA7 (0.55) CHRNA7KCNH2NPC1RAB9AMAPT
SCHEMBL4247699 0.79 HPGD (0.67) CHRNA7KCNH2NPC1RAB9AHPGD

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 CHRNA7 1/4885KCNH2 815/4885NPC1 1641/4885

“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.