SCHEMBL4247334

SCHEMBL4247334

O=C(NNC(=S)NCCCCN1CCCCC1)c1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
ALPL P05186 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
CHRNA7 P36544 4/20 0.53
KCNH2 Q12809 4/20 0.53
ADAMTS4 O75173 1/20 0.52
ADAMTS5 Q9UNA0 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.48
FPR2 P25090 5/20 0.48
FPR3 P25089 4/20 0.47
NAMPT P43490 1/20 0.47
HTR3A P46098 2/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL4246988 0.90 GAA (0.63) KDM4EMAPTALPLALPIALPG
SCHEMBL4247332 0.86 CHRNA7 (0.51) KDM4EMAPTALPLALPIALPG
SCHEMBL4245219 0.85 HTR3A (0.57) KDM4EMAPTCHRNA7KCNH2SMN1; SMN2
SCHEMBL4246865 0.80 MCHR1 (0.57) KDM4EMAPTCHRNA7KCNH2LMNA
SCHEMBL4242691 0.80 CHRNA7 (0.56) MAPTCHRNA7KCNH2SMN1; SMN2NAMPT
SCHEMBL4238226 0.79 CHRNA7 (0.56) MAPTCHRNA7KCNH2SMN1; SMN2GAA
SCHEMBL4039320 0.78 CHRNA7 (0.55) CHRNA7KCNH2LMNAGAANAMPT
SCHEMBL4247359 0.77 CHRNA7 (0.56) MAPTCHRNA7KCNH2SMN1; SMN2GAA
SCHEMBL4246982 0.76 EPHX2 (0.51) KDM4EMAPTALPLALPIALPG
SCHEMBL4241229 0.74 MAPT (0.56) MAPTADAMTS4ADAMTS5SMN1; SMN2LMNA

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 KDM4E 3074/4885MAPT 659/4885ALPL 2550/4885

“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.