SCHEMBL5377101

SCHEMBL5377101

Clc1ccc(Nc2n[nH]c(SCc3ccccc3)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.62
GAA P10253 3/20 0.54
GFER P55789 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
METAP1 P53582 1/20 0.48
CTSB P07858 1/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PLA2G1B P04054 1/20 0.46
HTT P42858 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
TP53 P04637 1/20 0.45
MAOB P27338 1/20 0.44
DAO P14920 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL5376519 0.95 METAP2 (0.55) METAP2GAAGFERMEN1KMT2A
SCHEMBL5382906 0.90 METAP2 (0.57) METAP2GAAGFERMEN1KMT2A
SCHEMBL5376460 0.88 METAP2 (0.62) METAP2GAAGFERMEN1KMT2A
SCHEMBL5371964 0.87 METAP2 (0.62) METAP2GAAGFERMEN1KMT2A
SCHEMBL6225737 0.87 METAP2 (0.48) METAP2GAAGFERMETAP1MAPT
SCHEMBL5387666 0.84 METAP2 (0.66) METAP2GAAGFERMEN1KMT2A
SCHEMBL5380656 0.84 METAP2 (0.64) METAP2MEN1KMT2AMETAP1CTSB
SCHEMBL5396887 0.83 KCNH3 (0.54) METAP2GAAGFERMEN1KMT2A
SCHEMBL5382604 0.83 METAP2 (0.65) METAP2GAAGFERMEN1KMT2A
SCHEMBL5381620 0.83 METAP2 (0.65) METAP2GAAGFERMEN1KMT2A

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 METAP2 1/4885GAA 2089/4885GFER 4149/4885

“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.