SCHEMBL6413667

SCHEMBL6413667

O=C(O)c1ccccc1C=NNc1nc2nonc2nc1NCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.45
KDM5B Q9UGL1 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 4/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
DDX3X O00571 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTDSP1 Q9GZU7 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
SCHEMBL6414665 0.86 DDX3X (0.53) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL6419686 0.84 DHODH (0.47) DHODHCYP2C19ALDH1A1POLBMAPT
SCHEMBL6433093 0.83 GAA (0.45) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL6416062 0.81 BIRC5 (0.46) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL6415725 0.80 GAA (0.51) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL6414142 0.79 MAPT (0.43) ALDH1A1POLBMAPTKMT2AMEN1
SCHEMBL6413685 0.79 MAPT (0.51) CYP2C19ALDH1A1POLBMAPTKMT2A
SCHEMBL6413690 0.79 MAPT (0.51) CYP2C19ALDH1A1POLBMAPTKMT2A
SCHEMBL6417113 0.78 DDX3X (0.57) CYP2C19ALDH1A1POLBMAPTKMT2A
SCHEMBL6417108 0.78 DDX3X (0.57) CYP2C19ALDH1A1POLBMAPTKMT2A

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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 DHODH 1369/4885KDM5B 2671/4885CYP2C19 92/4885

“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.