SCHEMBL4242232

SCHEMBL4242232

O=C(Nc1ccc(-c2nnc(S(=O)(=O)Cc3ccccc3)o2)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TSHR P16473 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 3/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN1 P18031 2/20 0.49
ADCY1 Q08828 1/20 0.48
CHRNA7 P36544 2/20 0.48
KCNH2 Q12809 2/20 0.48
SMO Q99835 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4241242 0.86 CHRNA7 (0.53) ALDH1A1MEN1KMT2ACHRNA7KCNH2
SCHEMBL4246981 0.83 CHRNA7 (0.51) ALDH1A1TSHRNPC1RAB9AHPGD
SCHEMBL4250780 0.83 RAB9A (0.47) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL8770855 0.81 NPC1 (0.74) ALDH1A1TSHRNPC1RAB9AHPGD
SCHEMBL16157128 0.81 HPGD (0.65) ALDH1A1TSHRNPC1RAB9AHPGD
SCHEMBL4249795 0.81 HPGD (0.57) ALDH1A1TSHRHPGDSMN1; SMN2HSD17B10
SCHEMBL4247364 0.81 MAPT (0.47) ALDH1A1NPC1RAB9AHPGDMEN1
SCHEMBL16538410 0.77 KDM4E (0.51) ALDH1A1NPC1HPGDHSD17B10KDM4E
SCHEMBL4249899 0.76 ALDH1A1 (0.69) ALDH1A1NPC1RAB9AHPGDMAPK1
SCHEMBL13878320 0.75 NPC1 (0.61) ALDH1A1TSHRNPC1RAB9AHPGD

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 ALDH1A1 780/4885TSHR 337/4885NPC1 1641/4885

“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.