SCHEMBL4247332

SCHEMBL4247332

O=C(NNC(=S)ONCCCCN1CCCCC1)c1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.51
KCNH2 Q12809 4/20 0.51
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
FPR2 P25090 4/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FPR3 P25089 3/20 0.41
EPHX2 P34913 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 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
SCHEMBL4246982 0.90 EPHX2 (0.51) CHRNA7KCNH2MAPTKDM4EALPL
SCHEMBL4245212 0.86 CHRNA7 (0.53) CHRNA7KCNH2MAPTKDM4ESMN1; SMN2
SCHEMBL4247334 0.86 KDM4E (0.56) CHRNA7KCNH2MAPTKDM4EALPL
SCHEMBL4242687 0.81 CHRNA7 (0.54) CHRNA7KCNH2MAPTSMN1; SMN2
SCHEMBL4238218 0.80 CHRNA7 (0.53) CHRNA7KCNH2MAPTSMN1; SMN2
SCHEMBL4246988 0.76 GAA (0.63) MAPTKDM4EALPLALPIALPG
SCHEMBL4245241 0.73 MCHR1 (0.55) CHRNA7KCNH2KDM4ELMNAKMT2A
SCHEMBL4245219 0.71 HTR3A (0.57) CHRNA7KCNH2MAPTKDM4ESMN1; SMN2
SCHEMBL4249768 0.69 CHRNA7 (0.56) CHRNA7KCNH2KDM4ELMNASMN1; SMN2
SCHEMBL4239351 0.69 CHRNA7 (0.53) CHRNA7KCNH2HTTKMT2ANPSR1

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 815/4885MAPT 659/4885

“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.