SCHEMBL5380385

SCHEMBL5380385

COc1ccc(Nc2n[nH]c(SCc3ccccc3C)n2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
METAP2 P50579 4/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
PTK2 Q05397 3/20 0.44
KMT2A Q03164 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 3/20 0.42
MKNK2 Q9HBH9 3/20 0.42
MKNK1 Q9BUB5 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL5379222 0.92 SMN1; SMN2 (0.47) MAPTMETAP2NPC1RAB9ASMN1; SMN2
SCHEMBL5382003 0.92 METAP2 (0.52) MAPTMETAP2NPC1RAB9ASMN1; SMN2
SCHEMBL5396911 0.89 GAA (0.49) MAPTMETAP2NPC1RAB9ASMN1; SMN2
SCHEMBL5380596 0.89 METAP2 (0.51) MAPTMETAP2NPC1RAB9ASMN1; SMN2
SCHEMBL5373695 0.88 METAP2 (0.54) MAPTMETAP2SMN1; SMN2ALDH1A1GAA
SCHEMBL5372346 0.88 METAP2 (0.53) MAPTMETAP2NPC1RAB9ASMN1; SMN2
SCHEMBL5376731 0.86 CYP2E1 (0.50) MAPTMETAP2NPC1RAB9ASMN1; SMN2
SCHEMBL5373536 0.84 METAP2 (0.52) MAPTMETAP2NPC1RAB9ASMN1; SMN2
SCHEMBL5385922 0.84 GAA (0.49) MAPTNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL5371861 0.84 CYP1A2 (0.54) MAPTMETAP2NPC1RAB9ASMN1; SMN2

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 8 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
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 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-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use METAP2, METAP1, DNPEP MAPT 2319/4885METAP2 1/4885NPC1 4364/4885

“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.