SCHEMBL5373583

SCHEMBL5373583

Clc1ccc(Nc2n[nH]c(SCc3cccs3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.51
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
KCNH3 Q9ULD8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 4/20 0.39
HTT P42858 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5373504 0.90 METAP2 (0.62) METAP2MEN1KMT2AGAAGFER
SCHEMBL5377242 0.89 METAP2 (0.65) METAP2MEN1KMT2AGAAKCNH3
SCHEMBL5376986 0.86 METAP2 (0.50) METAP2MEN1KMT2AGAASMN1; SMN2
SCHEMBL5376498 0.83 METAP2 (0.47) METAP2MEN1KMT2AGAAKCNH3
SCHEMBL5376648 0.83 METAP2 (0.49) METAP2MEN1KMT2AGAAKCNH3
SCHEMBL5379154 0.81 METAP2 (0.50) METAP2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5377316 0.81 METAP2 (0.46) METAP2MEN1KMT2ALMNA
SCHEMBL5377101 0.81 METAP2 (0.62) METAP2MEN1KMT2AGAAGFER
SCHEMBL5376460 0.80 METAP2 (0.62) METAP2MEN1KMT2AGAAGFER
SCHEMBL6249119 0.79 MEN1 (0.52) METAP2MEN1KMT2AGAAKCNH3

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 1/4885MEN1 1981/4885KMT2A 1092/4885
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 3/4885MEN1 1033/4885KMT2A 1106/4885

“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.