SCHEMBL4242075

SCHEMBL4242075

O=C(Nc1ccc(-c2nnc(S(=O)(=O)Cc3ccccc3)o2)c(F)c1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP19A1 P11511 1/20 0.44
USP30 Q70CQ3 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP3 P42574 1/20 0.40
CHRNA7 P36544 1/20 0.40
KCNH2 Q12809 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4238834 0.89 HPGD (0.49) HPGDSMN1; SMN2HSD17B10USP2POLB
SCHEMBL4246246 0.89 HPGD (0.47) HPGDSMN1; SMN2HSD17B10USP2POLB
SCHEMBL4246429 0.87 CYP19A1 (0.48) HPGDSMN1; SMN2HSD17B10USP2POLB
SCHEMBL4249795 0.85 HPGD (0.57) HPGDSMN1; SMN2HSD17B10USP2POLB
SCHEMBL4246981 0.83 CHRNA7 (0.51) HPGDSMN1; SMN2POLBTSHRALDH1A1
SCHEMBL4036871 0.81 CHRNA7 (0.52) SMN1; SMN2MAPTCHRNA7KCNH2KDM4E
SCHEMBL4244775 0.81 EGFR (0.53) HPGDSMN1; SMN2HSD17B10USP2POLB
SCHEMBL13878311 0.78 HPGD (0.51) HPGDSMN1; SMN2HSD17B10USP2POLB
SCHEMBL4247033 0.74 CHRNA7 (0.54) HPGDSMN1; SMN2ALDH1A1MAPTCHRNA7
SCHEMBL13878330 0.73 CHRNA7 (0.55) SMN1; SMN2MAPTCHRNA7KCNH2KDM4E

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 HPGD 1075/4885SMN1; SMN2 1002/4885HSD17B10 1668/4885

“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.