SCHEMBL4246982

SCHEMBL4246982

O=C(NNC(=S)ONCCCN1CCOCC1)c1ccc(NC(=O)C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
GAA P10253 1/20 0.46
CHRNA7 P36544 3/20 0.45
KCNH2 Q12809 3/20 0.45
LIPE Q05469 1/20 0.45
ABL1 P00519 2/20 0.45
RIN1 Q13671 2/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 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
SCHEMBL4247332 0.90 CHRNA7 (0.51) EPHX2MAPTLMNAKDM4EALPL
SCHEMBL4246988 0.86 GAA (0.63) EPHX2MAPTLMNAALDH1A1KDM4E
SCHEMBL4247334 0.76 KDM4E (0.56) MAPTLMNAKDM4EALPLALPI
SCHEMBL4245212 0.76 CHRNA7 (0.53) MAPTALDH1A1KDM4ECHRNA7KCNH2
SCHEMBL13878304 0.72 LMNA (0.57) EPHX2MAPTLMNAALDH1A1GAA
SCHEMBL4242687 0.72 CHRNA7 (0.54) MAPTALDH1A1CHRNA7KCNH2NPC1
SCHEMBL4238218 0.71 CHRNA7 (0.53) MAPTALDH1A1CHRNA7KCNH2NPC1
SCHEMBL4245310 0.70 CHRNA7 (0.88) CHRNA7KCNH2
SCHEMBL4386480 0.69 GAA (0.68) EPHX2MAPTLMNAALDH1A1KDM4E
SCHEMBL13878573 0.69 CHRNA7 (0.86) 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 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 EPHX2 1186/4885MAPT 659/4885LMNA 3692/4885

“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.