Sugi Predict

Sugi Predict / Compounds / SCHEMBL4241857

SCHEMBL4241857

SCHEMBL4241857

O=C(Nc1ccc(-c2nnc(SCc3ccccc3)o2)cc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.58
▸ POLB P06746 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ NPC1 O15118 3/20 0.57
▸ EGFR P00533 2/20 0.56
▸ RAB9A P51151 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ GSK3A P49840 2/20 0.52
▸ GSK3B P49841 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52

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 0.85 EGFR (0.53) HPGDPOLBSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL4246924 0.85 HPGD (0.50) HPGDPOLBSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL4247010 0.82 EGFR (0.56) HPGDPOLBSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL4244936 0.82 HPGD (0.48) HPGDPOLBSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL24474024 0.82 HPGD (0.77) HPGDPOLBSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL4249899 0.81 ALDH1A1 (0.69) HPGDPOLBL3MBTL1NPC1EGFR
SCHEMBL4249795 0.79 HPGD (0.57) HPGDPOLBSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL4033854 0.76 NPC1 (0.58) HPGDPOLBSMN1; SMN2L3MBTL1NPC1
SCHEMBL14370007 0.76 PTPN1 (0.62) HPGDPOLBSMN1; SMN2HSD17B10L3MBTL1
SCHEMBL16157074 0.74 EGFR (0.94) HPGDPOLBSMN1; SMN2L3MBTL1TSHR

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 1075/4885POLB 3367/4885SMN1; SMN2 1002/4885

“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.