SCHEMBL5384607

SCHEMBL5384607

COc1ccc(Nc2n[nH]c(SCc3cccs3)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
GAA P10253 1/20 0.39
OPRM1 P35372 1/20 0.39
EGFR P00533 1/20 0.39
ERBB3 P21860 1/20 0.39
USP2 O75604 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 5/20 0.37
CYP3A4 P08684 4/20 0.37
LMNA P02545 4/20 0.37
CYP1A2 P05177 3/20 0.37
TSHR P16473 3/20 0.37
CASP1 P29466 3/20 0.37

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
SCHEMBL5385753 0.90 USP2 (0.47) GAAEGFRERBB3USP2SMN1; SMN2
SCHEMBL5376986 0.84 METAP2 (0.50) METAP2GAAUSP2SMN1; SMN2MEN1
SCHEMBL5376845 0.84 METAP2 (0.48) METAP2SMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL6249119 0.84 MEN1 (0.52) METAP2GAAEGFRUSP2SMN1; SMN2
SCHEMBL7085264 0.83 ADRA2A (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL5380302 0.83 CYP2E1 (0.50) METAP2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL5382407 0.83 LMNA (0.47) METAP2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL5379222 0.82 SMN1; SMN2 (0.47) METAP2ADRA2AADRA2CADRA1DADRA1A
SCHEMBL5376455 0.81 METAP2 (0.46) METAP2GAAEGFRUSP2SMN1; SMN2
SCHEMBL5372428 0.81 CYP1A2 (0.54) METAP2ADRA2AADRA2CADRA1DADRA1A

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 1/4885ADRA2A 3877/4885ADRA2C 3152/4885
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 3/4885ADRA2A 4720/4885ADRA2C 4554/4885

“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.