SCHEMBL13878313

SCHEMBL13878313

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.58
PTGS2 P35354 1/20 0.51
TP53 P04637 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
KCNK9 Q9NPC2 3/20 0.49
KCNK3 O14649 2/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
NR3C1 P04150 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
NLRP3 Q96P20 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL13878310 0.86 ALDH1A1 (0.61) TP53HSD17B10MEN1KMT2AMAPT
SCHEMBL13878316 0.84 RAB9A (0.56) TSHRKCNK9KCNK3MAPTALDH1A1
SCHEMBL13878318 0.84 NPC1 (0.56) TP53TSHRKCNK9KCNK3MEN1
SCHEMBL13878317 0.81 MAPT (0.55) TSHRKCNK9KCNK3MEN1KMT2A
SCHEMBL4242418 0.80 HPGD (0.65) IMPDH2KMT2AMAPTALDH1A1KDM4E
SCHEMBL4249280 0.79 IMPDH2 (0.51) IMPDH2PTGS2TP53HSD17B10ALOX15
SCHEMBL13580107 0.79 CHRNA7 (0.51) IMPDH2PTGS2TP53ALOX15MEN1
SCHEMBL13878314 0.78 POLB (0.51) HSD17B10TSHRMEN1KMT2AALDH1A1
SCHEMBL13878320 0.78 NPC1 (0.61) TP53HSD17B10TSHRMEN1KMT2A
SCHEMBL4241931 0.78 MEN1 (0.65) IMPDH2PTGS2TP53HSD17B10KCNK9

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 3 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
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 2185/4885PTGS2 3192/4885TP53 4758/4885

“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.