SCHEMBL4039320

SCHEMBL4039320

O=C(NNC(=S)NCCCN1CCCCC1)c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.55
KCNH2 Q12809 5/20 0.55
NAMPT P43490 4/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
HTR3A P46098 2/20 0.48
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL13878303 0.91 ALDH1A1 (0.64) NAMPTALDH1A1GAALMNAEPHX2
SCHEMBL4247359 0.90 CHRNA7 (0.56) CHRNA7KCNH2NAMPTALDH1A1GAA
SCHEMBL4242691 0.87 CHRNA7 (0.56) CHRNA7KCNH2NAMPTALDH1A1HTR3A
SCHEMBL4238226 0.86 CHRNA7 (0.56) CHRNA7KCNH2NAMPTALDH1A1GAA
SCHEMBL4245219 0.84 HTR3A (0.57) CHRNA7KCNH2NAMPTALDH1A1GAA
SCHEMBL4383009 0.80 BCL3 (0.66) CHRNA7KCNH2NAMPTALDH1A1GAA
SCHEMBL4394913 0.80 ALDH1A1 (0.63) NAMPTALDH1A1GAALMNAEPHX2
SCHEMBL4031580 0.79 CHRNA7 (0.57) CHRNA7KCNH2HTR3AEPHX2
SCHEMBL4386480 0.78 GAA (0.68) NAMPTALDH1A1GAALMNAEPHX2
SCHEMBL4241933 0.78 CHRNA7 (0.58) CHRNA7KCNH2

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 3 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
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

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 815/4885NAMPT 1563/4885

“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.