SCHEMBL4249280

SCHEMBL4249280

COc1cc(NC(=O)c2ccccc2)ccc1-c1nnc(S(=O)(=O)Cc2ccccc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
TP53 P04637 4/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALOX15 P16050 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.47
PTGS2 P35354 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
CYP19A1 P11511 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
MCHR1 Q99705 1/20 0.43

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
SCHEMBL4242077 0.89 CHRNA7 (0.56) MEN1KMT2AKDM4ETDP1SMN1; SMN2
SCHEMBL4246981 0.86 CHRNA7 (0.51) TP53KDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL4250780 0.86 RAB9A (0.47) MEN1KMT2AKDM4ELMNAHPGD
SCHEMBL4246429 0.85 CYP19A1 (0.48) MEN1KMT2AKDM4ELMNAHTT
SCHEMBL4247364 0.84 MAPT (0.47) MEN1KMT2AKDM4ELMNAHPGD
SCHEMBL4242232 0.81 ALDH1A1 (0.52) MEN1KMT2AKDM4EHTTSMN1; SMN2
SCHEMBL4242418 0.80 HPGD (0.65) IMPDH2KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL13878313 0.79 IMPDH2 (0.58) IMPDH2MEN1KMT2ATP53KDM4E
SCHEMBL4036871 0.77 CHRNA7 (0.52) MEN1KMT2AKDM4ETDP1SMN1; SMN2
SCHEMBL4243114 0.76 CHRNA7 (0.55) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1

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 IMPDH2 2185/4885MEN1 4763/4885KMT2A 2842/4885

“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.