SCHEMBL4244936

SCHEMBL4244936

O=C(Nc1ccc(-c2nnc(SCc3ccccc3)o2)c(C(F)(F)F)c1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
EGFR P00533 4/20 0.45
AURKA O14965 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CHRNA7 P36544 1/20 0.42
KCNH2 Q12809 1/20 0.42
THRB P10828 1/20 0.42
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4244775 0.89 EGFR (0.53) HPGDSMN1; SMN2USP2POLBTSHR
SCHEMBL4246924 0.87 HPGD (0.50) HPGDSMN1; SMN2USP2POLBTSHR
SCHEMBL4247010 0.84 EGFR (0.56) HPGDSMN1; SMN2USP2POLBTSHR
SCHEMBL4238972 0.84 HPGD (0.64) HPGDSMN1; SMN2TSHRALDH1A1KDM4E
SCHEMBL4241857 0.82 HPGD (0.58) HPGDSMN1; SMN2USP2POLBTSHR
SCHEMBL4246246 0.82 HPGD (0.47) HPGDSMN1; SMN2USP2POLBTSHR
SCHEMBL4247067 0.81 CHRNA7 (0.56) HPGDSMN1; SMN2TSHRHSD17B10L3MBTL1
SCHEMBL13878312 0.80 HPGD (0.48) HPGDSMN1; SMN2USP2POLBTSHR
SCHEMBL16157021 0.73 EGFR (0.69) HPGDSMN1; SMN2POLBTSHRHSD17B10
SCHEMBL4246510 0.72 ALDH1A1 (0.47) HPGDSMN1; SMN2USP2POLBTSHR

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 1002/4885USP2 3142/4885

“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.