SCHEMBL4245212

SCHEMBL4245212

O=C(NNC(=S)ONCCCCN1CCCCC1)c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.53
KCNH2 Q12809 2/20 0.53
HTR3A P46098 3/20 0.49
POLB P06746 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NAMPT P43490 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.44
MCHR1 Q99705 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
UBE2N P61088 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
SCHEMBL4242687 0.89 CHRNA7 (0.54) CHRNA7KCNH2HTR3AMAPTNPC1
SCHEMBL4238218 0.88 CHRNA7 (0.53) CHRNA7KCNH2HTR3AMAPTNPC1
SCHEMBL4245241 0.86 MCHR1 (0.55) CHRNA7KCNH2HTR3AKDM4EALDH1A1
SCHEMBL4247332 0.86 CHRNA7 (0.51) CHRNA7KCNH2KDM4ENAMPTMAPT
SCHEMBL4245219 0.85 HTR3A (0.57) CHRNA7KCNH2HTR3APOLBKDM4E
SCHEMBL4249768 0.77 CHRNA7 (0.56) CHRNA7KCNH2KDM4ENPC1RAB9A
SCHEMBL4246982 0.76 EPHX2 (0.51) CHRNA7KCNH2KDM4ENAMPTMAPT
SCHEMBL4241926 0.75 CHRNA7 (0.56) CHRNA7KCNH2AVPR2
SCHEMBL4246643 0.75 CHRNA7 (0.58) CHRNA7KCNH2MCHR1
SCHEMBL4239351 0.75 CHRNA7 (0.53) CHRNA7KCNH2ALDH1A1KMT2A

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 815/4885HTR3A 58/4885

“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.