SCHEMBL360215

SCHEMBL360215

CCOC(=O)Nc1cc(N2CCOCC2)cnc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
MAPK1 P28482 4/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 9/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PIK3CA P42336 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MC4R P32245 1/20 0.42
HTT P42858 1/20 0.42
PTK2B Q14289 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL359819 0.83 MAPT (0.46) POLBMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30805597 0.77 POLB (0.52) POLBMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL360214 0.77 ALDH1A1 (0.46) POLBMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5344518 0.76 ALDH1A1 (0.44) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL15097532 0.76 POLB (0.56) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3866224 0.72 ALDH1A1 (0.49) POLBMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL361410 0.72 POLB (0.57) POLBMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL359423 0.71 POLB (0.56) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL360727 0.71 POLB (0.56) POLBMAPK1ALDH1A1MAPTSMN1; SMN2
SCHEMBL359096 0.71 POLB (0.56) POLBMAPK1ALDH1A1MAPTSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 EP disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 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-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 POLB 937/4885MAPK1 1479/4885ALDH1A1 1686/4885

“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.