SCHEMBL5382906

SCHEMBL5382906

c1ccc(CSc2nc(Nc3ccccc3)n[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.57
METAP1 P53582 1/20 0.57
GAA P10253 1/20 0.55
GFER P55789 1/20 0.55
KCNH3 Q9ULD8 1/20 0.47
DAO P14920 1/20 0.47
XDH P47989 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP3 P42574 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
TP53 P04637 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
SCHEMBL5396887 0.92 KCNH3 (0.54) METAP2METAP1GAAGFERKCNH3
SCHEMBL5376519 0.90 METAP2 (0.55) METAP2METAP1GAAGFERDAO
SCHEMBL6225737 0.90 METAP2 (0.48) METAP2METAP1GAAGFERKCNH3
SCHEMBL5371964 0.90 METAP2 (0.62) METAP2METAP1GAAGFERRAB9A
SCHEMBL5377101 0.90 METAP2 (0.62) METAP2METAP1GAAGFERDAO
SCHEMBL5374321 0.89 METAP2 (0.65) METAP2METAP1GAAGFERDAO
SCHEMBL5376637 0.87 METAP2 (0.46) METAP2METAP1GAAGFERKCNH3
SCHEMBL5376453 0.87 TSHR (0.53) METAP2METAP1GAAGFERRAB9A
SCHEMBL5372054 0.87 MAOB (0.50) METAP2METAP1GAAGFERKCNH3
SCHEMBL5442192 0.87 ALDH1A1 (0.54) METAP2METAP1GAAGFERRAB9A

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 18 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
EP-1386279-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2004-02-04 EP claimed
WO-2003083068-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO claimed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
WO-2002081415-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 WO 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
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
EP-1386279-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2004-02-04 EP disclosed
WO-2003083068-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 WO disclosed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
WO-2002081415-A2 METHOD FOR INHIBITING METAP2 SMITHKLINE BEECHAM CORPORATION (US) 2002-10-17 WO 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 (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 1/4885METAP1 2/4885GAA 2089/4885
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 3/4885METAP1 1/4885GAA 1103/4885

“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.