SCHEMBL5376644

SCHEMBL5376644

CCOC(=O)c1ccc(CSc2nnc(Nc3ccccc3)[nH]2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
RAB9A P51151 4/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 5/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GFER P55789 1/20 0.45
GAA P10253 4/20 0.44
HSD17B10 Q99714 3/20 0.44
PKM P14618 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5371958 0.92 ALDH1A1 (0.56) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL5376856 0.91 ALDH1A1 (0.52) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL5374243 0.90 ALDH1A1 (0.54) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL5378895 0.88 ALDH1A1 (0.54) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL5380976 0.86 ALDH1A1 (0.56) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL5377203 0.85 ALDH1A1 (0.51) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL6404847 0.82 ALDH1A1 (0.59) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL6405948 0.75 ALDH1A1 (0.55) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL5378945 0.73 ALDH1A1 (0.46) ALDH1A1RAB9AKMT2AMEN1POLB
SCHEMBL26910790 0.69 ALDH1A1 (0.59) ALDH1A1RAB9AKMT2AMEN1POLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7304082-B2 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION (US) 2007-12-04 US claimed
US-20050267185-A1 1,2,4-triazole derivatives, compositions, process of making and methods of use SMITHKLINE BEECHAM CORPORATION 2005-12-01 US claimed
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 ALDH1A1 1754/4885RAB9A 2324/4885KMT2A 1092/4885

“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.