SCHEMBL5373564

SCHEMBL5373564

COc1ccccc1Nc1n[nH]c(SCc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.50
METAP2 P50579 4/20 0.47
EGFR P00533 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CTSB P07858 1/20 0.45
USP2 O75604 2/20 0.43
HTT P42858 1/20 0.43
AURKA O14965 1/20 0.43
DAO P14920 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LRRK2 Q5S007 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL5387230 0.92 MAPT (0.48) GBA1METAP2EGFRALDH1A1SMN1; SMN2
SCHEMBL5376915 0.92 SMN1; SMN2 (0.43) GBA1METAP2EGFRALDH1A1SMN1; SMN2
SCHEMBL5396948 0.88 METAP2 (0.55) GBA1METAP2EGFRALDH1A1SMN1; SMN2
SCHEMBL5376731 0.88 CYP2E1 (0.50) METAP2ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL5374355 0.87 METAP2 (0.47) GBA1METAP2EGFRALDH1A1SMN1; SMN2
SCHEMBL5371868 0.87 EGFR (0.41) GBA1METAP2EGFRALDH1A1SMN1; SMN2
SCHEMBL5372409 0.86 METAP2 (0.50) GBA1METAP2EGFRALDH1A1SMN1; SMN2
SCHEMBL5373695 0.85 METAP2 (0.54) METAP2EGFRALDH1A1SMN1; SMN2KDM4E
SCHEMBL5372044 0.85 NPC1 (0.54) METAP2EGFRALDH1A1SMN1; SMN2KDM4E
SCHEMBL5393520 0.84 ALPL (0.53) METAP2EGFRALDH1A1SMN1; SMN2KDM4E

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 11 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
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
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 (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 GBA1 3753/4885METAP2 1/4885EGFR 909/4885
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 GBA1 3343/4885METAP2 3/4885EGFR 1218/4885

“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.