SCHEMBL4246909

SCHEMBL4246909

CCc1cc(C(=O)NNC(=S)ONCCCN2CCCCC2)ccc1NC(=O)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.56
KCNH2 Q12809 11/20 0.56
BCL3 P20749 3/20 0.45
CHRNA1 P02708 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4239351 0.92 CHRNA7 (0.53) CHRNA7KCNH2BCL3CHRNA1CYP3A4
SCHEMBL4238958 0.91 CHRNA7 (0.55) CHRNA7KCNH2BCL3CHRNA1CYP3A4
SCHEMBL4246915 0.88 CHRNA7 (0.58) CHRNA7KCNH2BCL3CHRNA1CYP3A4
SCHEMBL4242708 0.85 CHRNA7 (0.56) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4242687 0.83 CHRNA7 (0.54) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4238218 0.82 CHRNA7 (0.53) CHRNA7KCNH2BCL3CHRNA1CYP3A4
SCHEMBL4241926 0.82 CHRNA7 (0.56) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4239354 0.79 CHRNA7 (0.55) CHRNA7KCNH2BCL3ALDH1A1KMT2A
SCHEMBL4241890 0.79 CHRNA7 (0.56) CHRNA7KCNH2CHRNA1CYP3A4CYP2D6
SCHEMBL4238961 0.79 CHRNA7 (0.57) CHRNA7KCNH2BCL3CHRNA1CYP3A4

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 1 patent. 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

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 815/4885BCL3 4398/4885

“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.