SCHEMBL5397353

SCHEMBL5397353

COc1ccc(Nc2n[nH]c(SCc3ccc4c(c3)OCO4)n2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
DAO P14920 1/20 0.48
PDE5A O76074 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 2/20 0.41
MCHR1 Q99705 1/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
AURKA O14965 1/20 0.41
CSNK1E P49674 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5381920 0.91 DAO (0.45) KMT2ADAOPDE5AALDH1A1MCHR1
SCHEMBL5381809 0.89 ATM (0.54) KMT2ADAOPDE5AALDH1A1ATM
SCHEMBL5385922 0.86 GAA (0.49) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL5372437 0.83 METAP2 (0.52) KMT2AMEN1GAATSHR
SCHEMBL5376560 0.82 TP53 (0.47) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL5376731 0.82 CYP2E1 (0.50) ALDH1A1GAACYP3A4CYP2D6CYP2C19
SCHEMBL5382003 0.79 METAP2 (0.52) ALDH1A1GAATSHR
SCHEMBL5381486 0.79 DAO (0.51) KMT2ADAOALDH1A1ATMGAA
SCHEMBL5376716 0.78 METAP2 (0.53) GAATSHR
SCHEMBL5380385 0.78 MAPT (0.49) KMT2AALDH1A1GAA

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 KMT2A 1092/4885DAO 238/4885PDE5A 2207/4885

“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.