SCHEMBL4397732

SCHEMBL4397732

COc1cc(NC(=O)c2ccccc2F)ccc1C(=O)NNC(=S)NCCCN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.61
KCNH2 Q12809 5/20 0.61
BCL3 P20749 3/20 0.58
MCHR1 Q99705 4/20 0.58
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 3/20 0.52
CHRNA1 P02708 2/20 0.52
CHRNB2 P17787 2/20 0.52
CHRNA4 P43681 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
MCHR2 Q969V1 2/20 0.49

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
SCHEMBL4244089 0.92 MCHR1 (0.60) CHRNA7KCNH2MCHR1CYP3A4CHRNA1
SCHEMBL4246648 0.90 CHRNA7 (0.60) CHRNA7KCNH2MCHR1CYP3A4CHRNA1
SCHEMBL4241939 0.88 BCL3 (0.61) CHRNA7KCNH2BCL3KMT2AALDH1A1
SCHEMBL4389852 0.88 MCHR1 (0.56) CHRNA7KCNH2MCHR1LMNAALDH1A1
SCHEMBL4392484 0.88 ALDH1A1 (0.62) CHRNA7KCNH2MCHR1KMT2ALMNA
SCHEMBL4383009 0.85 BCL3 (0.66) CHRNA7KCNH2BCL3KMT2ALMNA
SCHEMBL4381830 0.85 MCHR1 (0.56) MCHR1LMNAALDH1A1CYP2D6CYP2C9
SCHEMBL13878306 0.85 MCHR1 (0.56) MCHR1LMNAALDH1A1CYP2D6CYP2C9
SCHEMBL13878304 0.83 LMNA (0.57) MCHR1LMNAALDH1A1CYP2D6CYP2C9
SCHEMBL4031580 0.82 CHRNA7 (0.57) CHRNA7KCNH2BCL3KMT2ACYP3A4

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 CHRNA7 1/4885KCNH2 815/4885BCL3 4398/4885

“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.