SCHEMBL4032012

SCHEMBL4032012

NC(=NO)c1sccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 1/20 0.39
PDE7A Q13946 1/20 0.38
PLAU P00749 1/20 0.38
MAPT P10636 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GPR35 Q9HC97 1/20 0.33
SLC10A6 Q3KNW5 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
SCHEMBL4032009 1.00 ESR2 (0.39) ESR2ALDH1A1GAAPDE7APLAU
SCHEMBL6623690 0.85 MAPT (0.39) ESR2ALDH1A1PDE7APLAUMAPT
SCHEMBL25983222 0.81 ESR2 (0.49) ESR2ALDH1A1PDE7AMAPTRAB9A
SCHEMBL3070066 0.80 ESR2 (0.45) ESR2ALDH1A1GAAPDE7AMAPT
SCHEMBL1847303 0.74 ESR2 (0.58) ESR2ALDH1A1MAPTRAB9ANPC1
SCHEMBL7707955 0.73 NPC1 (0.46) ESR2ALDH1A1MAPTRAB9ANPC1
SCHEMBL4028968 0.72 ESR2 (0.38) ESR2ALDH1A1GAAMAPTRAB9A
SCHEMBL4028972 0.72 ESR2 (0.38) ESR2ALDH1A1GAAMAPTRAB9A
SCHEMBL13646974 0.69 CTSD (0.56) ALDH1A1GAAPLAURAB9ANPC1
SCHEMBL10548093 0.69 CTSD (0.56) ALDH1A1GAAPLAURAB9ANPC1

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 4 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
EP-1470113-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-10-27 EP disclosed
WO-2003062211-A1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-07-31 WO 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 3067/4885ALDH1A1 255/4885GAA 339/4885

“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.