SCHEMBL360214

SCHEMBL360214

CCNC(=O)Oc1cc(N2CCOCC2)cnc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
POLB P06746 3/20 0.45
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL359818 0.83 JAK2 (0.48) POLBGAAL3MBTL1MAPTMAPK1
SCHEMBL360215 0.77 POLB (0.47) ALDH1A1POLBGAAL3MBTL1LMNA
SCHEMBL15097532 0.73 POLB (0.56) ALDH1A1POLBGAAPKML3MBTL1
SCHEMBL361410 0.72 POLB (0.57) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL359096 0.71 POLB (0.56) ALDH1A1POLBPKMLMNAMAPT
SCHEMBL359423 0.71 POLB (0.56) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL360727 0.71 POLB (0.56) ALDH1A1POLBPKML3MBTL1LMNA
SCHEMBL30805597 0.70 POLB (0.52) ALDH1A1POLBPKMMAPTMAPK1
SCHEMBL24073869 0.66 SIRT6 (0.60) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL23089621 0.66 MAPT (0.43) ALDH1A1LMNAMAPTMAPK1SMN1; 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 3 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
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

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 ALDH1A1 1686/4885POLB 937/4885GAA 132/4885

“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.