SCHEMBL4381830

SCHEMBL4381830

CCCC(=O)Nc1ccc(C(=O)NNC(=S)NCCCN2CCOCC2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.56
LMNA P02545 4/20 0.53
GAA P10253 1/20 0.51
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 2/20 0.49
ACHE P22303 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
QPCT Q16769 2/20 0.49
MDM2 Q00987 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RECQL P46063 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
SCHEMBL13878306 0.87 MCHR1 (0.56) MCHR1LMNAGAAPOLBMAPK1
SCHEMBL4389852 0.85 MCHR1 (0.56) MCHR1LMNAGAAPOLBMAPK1
SCHEMBL13878304 0.85 LMNA (0.57) MCHR1LMNAGAAPOLBMAPK1
SCHEMBL4397732 0.85 CHRNA7 (0.61) MCHR1LMNAALDH1A1CYP2D6CYP2C9
SCHEMBL4392484 0.83 ALDH1A1 (0.62) MCHR1LMNAGAAALDH1A1CYP2D6
SCHEMBL13878307 0.81 MCHR1 (0.52) MCHR1
SCHEMBL1184152 0.78 LMNA (0.70) MCHR1LMNAACHECYP2D6CYP2C9
SCHEMBL4246865 0.77 MCHR1 (0.57) MCHR1LMNAQPCT
SCHEMBL6673615 0.77 MCHR1 (0.67) MCHR1LMNAALDH1A1CYP2D6CYP2C9
SCHEMBL6109456 0.76 MCHR1 (0.85) MCHR1LMNAALDH1A1CYP2D6CYP2C9

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 MCHR1 356/4885LMNA 3692/4885GAA 1551/4885

“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.