SCHEMBL5372134

SCHEMBL5372134

COc1ccccc1Nc1n[nH]c(SCc2cc(C)on2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.53
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.40
RAB9A P51151 1/20 0.40
EGFR P00533 1/20 0.40
GBA1 P04062 1/20 0.39
IGF1R P08069 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
SCHEMBL5376901 0.88 METAP2 (0.66) METAP2SMN1; SMN2MAPTHTTRAB9A
SCHEMBL5376716 0.88 METAP2 (0.53) METAP2SMN1; SMN2MAPTHTT
SCHEMBL5376475 0.84 METAP2 (0.53) METAP2KMT2AALDH1A1MAPT
SCHEMBL5380336 0.84 METAP2 (0.69) METAP2
SCHEMBL5387535 0.84 METAP2 (0.69) METAP2ALDH1A1MAPTIGF1R
SCHEMBL5376466 0.84 METAP2 (0.55) METAP2MAPTIGF1R
SCHEMBL5391990 0.84 METAP2 (0.53) METAP2ALDH1A1MAPTIGF1R
SCHEMBL5371852 0.83 METAP2 (0.55) METAP2KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5372044 0.82 NPC1 (0.54) METAP2KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5376819 0.81 METAP2 (0.68) METAP2KMT2ASMN1; SMN2MAPTRAB9A

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
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
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 (1 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 1/4885KMT2A 1092/4885SMN1; SMN2 4773/4885

“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.