SCHEMBL4245219

SCHEMBL4245219

O=C(NNC(=S)NCCCCN1CCCCC1)c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.57
CHRNA7 P36544 3/20 0.55
KCNH2 Q12809 2/20 0.55
NAMPT P43490 1/20 0.54
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
UBE2N P61088 1/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.50
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL4242691 0.88 CHRNA7 (0.56) HTR3ACHRNA7KCNH2NAMPTMAPT
SCHEMBL4238226 0.87 CHRNA7 (0.56) HTR3ACHRNA7KCNH2NAMPTMAPT
SCHEMBL4247359 0.85 CHRNA7 (0.56) HTR3ACHRNA7KCNH2NAMPTMAPT
SCHEMBL4247334 0.85 KDM4E (0.56) HTR3ACHRNA7KCNH2NAMPTKDM4E
SCHEMBL4245212 0.85 CHRNA7 (0.53) HTR3ACHRNA7KCNH2NAMPTKDM4E
SCHEMBL4245246 0.85 MCHR1 (0.61) HTR3ACHRNA7KCNH2
SCHEMBL4039320 0.84 CHRNA7 (0.55) HTR3ACHRNA7KCNH2NAMPTALDH1A1
SCHEMBL2555571 0.79 CCR3 (0.67) HTR3ANAMPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL4386480 0.78 GAA (0.68) NAMPTKDM4EMAPTKMT2AALDH1A1
SCHEMBL4394913 0.77 ALDH1A1 (0.63) NAMPTKDM4EMAPTMEN1KMT2A

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 HTR3A 58/4885CHRNA7 1/4885KCNH2 815/4885

“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.