SCHEMBL4238249

SCHEMBL4238249

CCN(CC)CCCNc1nnc(-c2ccc(NC(=O)c3ccccc3)cc2Cl)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 17/20 0.58
KCNH2 Q12809 15/20 0.58
TDP1 Q9NUW8 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FLT3 P36888 1/20 0.45
CHRNA1 P02708 2/20 0.45
CYP3A4 P08684 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 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
SCHEMBL4238535 0.97 CHRNA7 (0.59) CHRNA7KCNH2TDP1MEN1USP2
SCHEMBL4244817 0.90 CHRNA7 (0.66) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL4239431 0.89 CHRNA7 (0.56) CHRNA7KCNH2TDP1MEN1ALDH1A1
SCHEMBL4242064 0.88 CHRNA7 (0.57) CHRNA7KCNH2MEN1LMNAKMT2A
SCHEMBL4243157 0.88 CHRNA7 (0.77) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL4241965 0.88 CHRNA7 (0.67) CHRNA7KCNH2CHRNA1CYP3A4CHRNB2
SCHEMBL4247664 0.87 CHRNA7 (0.57) CHRNA7KCNH2TDP1MEN1ALDH1A1
SCHEMBL4246557 0.86 CHRNA7 (0.76) CHRNA7KCNH2TDP1ALDH1A1HTT
SCHEMBL4238551 0.85 CHRNA7 (0.57) CHRNA7KCNH2MEN1LMNAKMT2A
SCHEMBL4242076 0.85 CHRNA7 (0.77) 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 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 815/4885TDP1 1486/4885

“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.