SCHEMBL6086445

SCHEMBL6086445

O=C(O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1-c1ccc(N2CCOCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
DPP4 P27487 4/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ATM Q13315 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
MAPT P10636 6/20 0.40
GSK3B P49841 1/20 0.40
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
POLB P06746 2/20 0.39
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7198334 0.91 MEN1 (0.46) ALDH1A1CYP1A2CYP2C9HPGDDPP4
SCHEMBL5093484 0.89 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C9HPGDDPP4
SCHEMBL5089316 0.83 GSK3B (0.48) ALDH1A1CYP1A2DPP4KMT2AMEN1
SCHEMBL7856342 0.82 DPP4 (0.45) ALDH1A1DPP4MKNK1MKNK2MAPT
SCHEMBL7856343 0.82 DPP4 (0.45) ALDH1A1DPP4MKNK1MKNK2MAPT
SCHEMBL6085442 0.80 MAPT (0.43) ALDH1A1DPP4KMT2AMEN1MAPT
SCHEMBL7026103 0.80 GSK3B (0.45) ALDH1A1CYP1A2DPP4KMT2AMEN1
SCHEMBL27538023 0.79 GSK3B (0.42) ALDH1A1CYP1A2DPP4KMT2AMEN1
SCHEMBL27559775 0.79 GSK3B (0.48) ALDH1A1CYP1A2DPP4KMT2AMEN1
SCHEMBL7021102 0.79 GSK3B (0.46) ALDH1A1DPP4KMT2AMEN1MKNK1

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-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 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-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB ALDH1A1 3532/4885CYP1A2 2056/4885CYP2C9 2051/4885

“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.