SCHEMBL4389852

SCHEMBL4389852

COc1cc(NC(=O)c2ccc(F)cc2)ccc1C(=O)NNC(=S)NCCCN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.56
GAA P10253 2/20 0.54
ALDH1A1 P00352 5/20 0.52
LMNA P02545 4/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
CHRNA7 P36544 1/20 0.49
KCNH2 Q12809 1/20 0.49
NAMPT P43490 1/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
EPHX2 P34913 1/20 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
SCHEMBL4392484 0.91 ALDH1A1 (0.62) MCHR1GAAALDH1A1LMNACYP2D6
SCHEMBL4397732 0.88 CHRNA7 (0.61) MCHR1ALDH1A1LMNACYP2D6CYP2C9
SCHEMBL4386480 0.86 GAA (0.68) GAAALDH1A1LMNACYP2D6SMN1; SMN2
SCHEMBL13878306 0.85 MCHR1 (0.56) MCHR1GAAALDH1A1LMNACYP2D6
SCHEMBL4381830 0.85 MCHR1 (0.56) MCHR1GAAALDH1A1LMNACYP2D6
SCHEMBL13878304 0.84 LMNA (0.57) MCHR1GAAALDH1A1LMNACYP2D6
SCHEMBL4245246 0.81 MCHR1 (0.61) MCHR1CHRNA7KCNH2
SCHEMBL4391179 0.81 MCHR1 (0.60) MCHR1POLB
SCHEMBL4394913 0.80 ALDH1A1 (0.63) GAAALDH1A1LMNACYP2D6SMN1; SMN2
SCHEMBL4244089 0.80 MCHR1 (0.60) MCHR1CYP2D6CYP3A4CHRNA7KCNH2

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 356/4885GAA 1551/4885ALDH1A1 780/4885

“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.