SCHEMBL5376986

SCHEMBL5376986

COc1ccc(Nc2n[nH]c(SCc3cccs3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.50
CYP1A2 P05177 4/20 0.43
CYP2C9 P11712 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
CASP7 P55210 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 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
SCHEMBL6249119 0.88 MEN1 (0.52) METAP2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL5377242 0.87 METAP2 (0.65) METAP2CYP1A2MEN1KMT2AUSP2
SCHEMBL5373583 0.86 METAP2 (0.51) METAP2MEN1KMT2ALMNAALDH1A1
SCHEMBL5377316 0.86 METAP2 (0.46) METAP2MEN1KMT2ALMNA
SCHEMBL5373504 0.86 METAP2 (0.62) METAP2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL5384607 0.84 METAP2 (0.41) METAP2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL5385753 0.84 USP2 (0.47) MEN1KMT2AUSP2LMNAALDH1A1
SCHEMBL5376498 0.82 METAP2 (0.47) METAP2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL5380656 0.81 METAP2 (0.64) METAP2CYP1A2CYP2C9MEN1KMT2A
SCHEMBL5376455 0.81 METAP2 (0.46) METAP2MEN1KMT2AUSP2ALDH1A1

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
US-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole MARINO JOSEPH P 2005-10-06 US claimed
EP-1576092-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-21 EP claimed
WO-2003083068-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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
US-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole MARINO JOSEPH P 2005-10-06 US disclosed
EP-1576092-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-21 EP disclosed
WO-2003083068-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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 (2 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 1/4885CYP1A2 1491/4885CYP2C9 1921/4885
US-20050222212-A1 Non-peptide, reversible inhibitors of bacterial methionine aminopeptidases, e.g., 3-anilino-5-(thiophen-2-ylmethylthio)-1,2,4-triazole METAP1, ANPEP, METAP2 METAP2 3/4885CYP1A2 3562/4885CYP2C9 2731/4885

“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.