SCHEMBL5382003

SCHEMBL5382003

COc1ccc(Nc2n[nH]c(SCc3ccccc3OC)n2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.52
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PTK2 Q05397 3/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MKNK2 Q9HBH9 2/20 0.43
FLT3 P36888 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MAPT P10636 3/20 0.42
KDM1A O60341 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CREBBP Q92793 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
SCHEMBL5380385 0.92 MAPT (0.49) METAP2GAASMN1; SMN2PTK2NPC1
SCHEMBL5372346 0.92 METAP2 (0.53) METAP2GAASMN1; SMN2NPC1RAB9A
SCHEMBL5396911 0.91 GAA (0.49) METAP2GAASMN1; SMN2PTK2NPC1
SCHEMBL5380596 0.91 METAP2 (0.51) METAP2GAASMN1; SMN2PTK2NPC1
SCHEMBL5396948 0.89 METAP2 (0.55) METAP2GAASMN1; SMN2NPC1RAB9A
SCHEMBL5376731 0.88 CYP2E1 (0.50) METAP2GAASMN1; SMN2PTK2NPC1
SCHEMBL5385430 0.86 METAP2 (0.66) METAP2GAASMN1; SMN2MAPTKDM1A
SCHEMBL5385922 0.86 GAA (0.49) GAASMN1; SMN2PTK2NPC1RAB9A
SCHEMBL5371861 0.85 CYP1A2 (0.54) METAP2GAASMN1; SMN2PTK2NPC1
SCHEMBL5376560 0.84 TP53 (0.47) METAP2GAASMN1; SMN2PTK2MKNK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US disclosed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 US 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP METAP2 1/4885GAA 2089/4885SMN1; SMN2 4773/4885

“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.