SCHEMBL5101064

SCHEMBL5101064

CCc1nc(NCCNc2ccc([N+](=O)[O-])cn2)nc(-c2ccc(N3CCOCC3)cc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
DPP4 P27487 4/20 0.43
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 2/20 0.38
MERTK Q12866 1/20 0.38
JAK2 O60674 3/20 0.38
JAK3 P52333 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL5101076 0.87 POLB (0.43) KMT2AMEN1DPP4ALDH1A1POLB
SCHEMBL7198334 0.85 MEN1 (0.46) KMT2AMEN1DPP4ALDH1A1POLB
SCHEMBL6085442 0.81 MAPT (0.43) KMT2AMEN1DPP4ALDH1A1POLB
SCHEMBL5094052 0.80 DPP4 (0.49) KMT2AMEN1DPP4ALDH1A1POLB
SCHEMBL5089087 0.78 POLB (0.50) KMT2AMEN1DPP4ALDH1A1POLB
SCHEMBL7856342 0.78 DPP4 (0.45) DPP4ALDH1A1POLBMAPTNPSR1
SCHEMBL7856343 0.78 DPP4 (0.45) DPP4ALDH1A1POLBMAPTNPSR1
SCHEMBL7673820 0.77 MAPK8 (0.43) KMT2AMEN1DPP4ALDH1A1POLB
SCHEMBL5099417 0.77 DPP4 (0.46) KMT2AMEN1DPP4ALDH1A1POLB
SCHEMBL5099443 0.77 MKNK1 (0.49) KMT2AMEN1DPP4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 US 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-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB KMT2A 3652/4885MEN1 3376/4885DPP4 2183/4885

“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.