SCHEMBL4028972

SCHEMBL4028972

NC(=NOC(=CC(=O)O)C(=O)O)c1sccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
MAPT P10636 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 6/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
AHR P35869 1/20 0.32

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
SCHEMBL4028968 1.00 ESR2 (0.38) ESR2MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4032009 0.72 ESR2 (0.39) ESR2MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL25983222 0.72 ESR2 (0.49) ESR2MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6623690 0.71 MAPT (0.39) ESR2MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL3070066 0.70 ESR2 (0.45) ESR2MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1847303 0.69 ESR2 (0.58) ESR2MAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4250271 0.65 KDM4E (0.48) ESR2MAPTL3MBTL1ALDH1A1NPC1
SCHEMBL4251655 0.65 KDM4E (0.48) ESR2MAPTL3MBTL1ALDH1A1NPC1
SCHEMBL4250277 0.65 KDM4E (0.48) ESR2MAPTL3MBTL1ALDH1A1NPC1
SCHEMBL7707955 0.64 NPC1 (0.46) ESR2MAPTL3MBTL1SMN1; SMN2ALDH1A1

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 ESR2 3067/4885MAPT 3658/4885L3MBTL1 3083/4885

“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.