SCHEMBL3313592

SCHEMBL3313592

COC(=O)COc1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
POLB P06746 2/20 0.51
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 7/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
NTSR1 P30989 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3314184 0.87 LMNA (0.51) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL18721152 0.87 PTGS2 (0.57) PTGS2POLBMAPK1ALDH1A1MEN1
SCHEMBL3315615 0.86 POLB (0.48) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27798824 0.84 ALDH1A1 (0.62) PTGS2POLBMAPK1ALDH1A1MEN1
SCHEMBL31255362 0.84 ALDH1A1 (0.62) PTGS2POLBMAPK1ALDH1A1MEN1
SCHEMBL3319505 0.84 POLB (0.48) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27631561 0.83 PTGS2 (0.53) PTGS2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL6986185 0.83 PTGS2 (0.53) PTGS2POLBMAPK1ALDH1A1MEN1
SCHEMBL31472484 0.83 PTGS2 (0.53) PTGS2POLBMAPK1ALDH1A1MEN1
SCHEMBL26853141 0.82 PTGS2 (0.52) PTGS2POLBMAPK1ALDH1A1MEN1

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
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS PTGS2 2989/4885POLB 233/4885MAPK1 2623/4885

“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.