SCHEMBL3312015

SCHEMBL3312015

COc1cc(N2CCN(C(C)=O)CC2)c(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
MAPT P10636 9/20 0.52
ALDH1A1 P00352 8/20 0.52
GPR174 Q9BXC1 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL3320231 0.87 ALDH1A1 (0.57) LMNAMAPTALDH1A1GPR174MEN1
SCHEMBL26429235 0.85 SIRT6 (0.57) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL3315404 0.84 MAPT (0.72) LMNAMAPTALDH1A1GPR174MEN1
SCHEMBL3312550 0.84 ALDH1A1 (0.55) LMNAMAPTALDH1A1GPR174MEN1
SCHEMBL23153740 0.82 HTT (0.52) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL3313613 0.82 LMNA (0.55) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL22471157 0.79 MAPT (0.57) LMNAMAPTALDH1A1GPR174MEN1
SCHEMBL28423347 0.79 MAPT (0.57) LMNAMAPTALDH1A1GPR174MEN1
SCHEMBL3313751 0.76 LMNA (0.57) LMNAMAPTALDH1A1GPR174MEN1
SCHEMBL2205083 0.76 SIRT6 (0.72) LMNAMAPTALDH1A1MEN1KMT2A

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 3341/4885MAPT 2130/4885ALDH1A1 649/4885

“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.