SCHEMBL4028591

SCHEMBL4028591

CN(O)C(=N)c1sccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.39
ESR2 Q92731 1/20 0.38
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SLC10A6 Q3KNW5 1/20 0.35
GAA P10253 1/20 0.34
PDE7A Q13946 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
VCAM1 P19320 1/20 0.33

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
SCHEMBL25983222 0.76 ESR2 (0.49) MAPTNPC1RAB9AMEN1HPGD
SCHEMBL7707955 0.75 NPC1 (0.46) MAPTNPC1RAB9AMEN1HPGD
SCHEMBL1847303 0.73 ESR2 (0.58) MAPTNPC1RAB9AMEN1HPGD
SCHEMBL3070066 0.72 ESR2 (0.45) MAPTNPC1RAB9AMEN1HPGD
SCHEMBL1848834 0.71 ALDH1A1 (0.60) MAPTNPC1RAB9AHPGDKMT2A
SCHEMBL6623690 0.70 MAPT (0.39) MAPTNPC1RAB9AMEN1HPGD
SCHEMBL4032009 0.68 ESR2 (0.39) MAPTNPC1RAB9AMEN1HPGD
SCHEMBL10933026 0.66
SCHEMBL4648233 0.66
SCHEMBL31549285 0.66 ALDH1A1 (0.44) MAPTNPC1RAB9AMEN1HPGD

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
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E MAPT 3658/4885NPC1 1567/4885RAB9A 1869/4885

“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.