SCHEMBL13878321

SCHEMBL13878321

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 2/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
KDM4E B2RXH2 2/20 0.48
AAK1 Q2M2I8 1/20 0.47
NPC1 O15118 1/20 0.46
GRM4 Q14833 1/20 0.46
CASP3 P42574 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL13878311 0.87 HPGD (0.51) HPGDALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL13878312 0.84 HPGD (0.48) HPGDALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL13878314 0.84 POLB (0.51) HPGDALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL14370007 0.81 PTPN1 (0.62) HPGDALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4246924 0.78 HPGD (0.50) HPGDALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4249127 0.78 HPGD (0.49) HPGDALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4238834 0.78 HPGD (0.49) HPGDALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4239669 0.76 CHRNA7 (0.53) HPGDALDH1A1HSD17B10SMN1; SMN2TSHR
SCHEMBL4238622 0.76 CHRNA7 (0.75)
SCHEMBL4241819 0.76 CHRNA7 (0.75)

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 HPGD 1075/4885ALDH1A1 780/4885HSD17B10 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.