SCHEMBL3311487

SCHEMBL3311487

COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 7/20 0.49
SIRT6 Q8N6T7 1/20 0.48
KDM4E B2RXH2 2/20 0.40
NR1H2 P55055 2/20 0.39
MET P08581 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 1/20 0.38
ESR2 Q92731 1/20 0.38
PDE4B Q07343 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
MMP1 P03956 1/20 0.37

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
SCHEMBL31347224 0.86 MAPT (0.50) LMNAALDH1A1MAPTNR1H2MET
SCHEMBL31129949 0.85 ALDH1A1 (0.51) LMNAALDH1A1MAPTNR1H2MET
SCHEMBL24794238 0.85 MAPT (0.43) LMNAALDH1A1MAPTKDM4EMET
SCHEMBL30082696 0.85 MAPT (0.43) LMNAALDH1A1MAPTKDM4EMET
SCHEMBL3312798 0.85 MAPT (0.45) LMNAALDH1A1MAPTKDM4ENR1H2
SCHEMBL310369 0.85 MAPT (0.65) LMNAALDH1A1MAPTSIRT6KDM4E
SCHEMBL29802982 0.85 MAPT (0.65) LMNAALDH1A1MAPTSIRT6KDM4E
SCHEMBL18630915 0.84 MAPT (0.50) LMNAALDH1A1MAPTNR1H2MET
SCHEMBL31342592 0.84 SUV39H2 (0.44) LMNAALDH1A1MAPTNR1H2ESR2
SCHEMBL29246422 0.82 ALDH1A1 (0.46) LMNAALDH1A1MAPTSMN1; SMN2PDE4B

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 LMNA 3341/4885ALDH1A1 649/4885MAPT 2130/4885

“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.