SCHEMBL4249768

SCHEMBL4249768

O=C(Nc1ccc(C(=O)NNC(=S)ONCCCCN2CCCCC2)c(Cl)c1)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 15/20 0.56
KCNH2 Q12809 15/20 0.56
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRNA1 P02708 2/20 0.46
CYP3A4 P08684 2/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MET P08581 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4241890 0.98 CHRNA7 (0.56) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4246643 0.89 CHRNA7 (0.58) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL4241926 0.88 CHRNA7 (0.56) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL4249772 0.88 CHRNA7 (0.58) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4242687 0.88 CHRNA7 (0.54) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4242708 0.87 CHRNA7 (0.56) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4238218 0.87 CHRNA7 (0.53) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4245379 0.86 CHRNA7 (0.57) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL4241899 0.85 CHRNA7 (0.58) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL4239351 0.79 CHRNA7 (0.53) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2

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 815/4885NPC1 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.