SCHEMBL3315930

SCHEMBL3315930

COc1cc(N2CCNC(C(=O)O)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
SIRT6 Q8N6T7 3/20 0.56
MAPT P10636 11/20 0.51
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTR6 P50406 1/20 0.43
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL3314648 0.89 ALDH1A1 (0.56) ALDH1A1LMNASIRT6MAPTCCNE1
SCHEMBL3313672 0.85 MAPT (0.66) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL2878951 0.82 NOTUM (0.44)
SCHEMBL310653 0.81 ALDH1A1 (0.59) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL3314963 0.79 ALDH1A1 (0.59) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL3314957 0.79 ALDH1A1 (0.59) ALDH1A1LMNASIRT6MAPTHTR6
SCHEMBL520292 0.79 ALDH1A1 (0.66) ALDH1A1LMNASIRT6MAPTCCNE1
SCHEMBL520291 0.79 ALDH1A1 (0.66) ALDH1A1LMNASIRT6MAPTCCNE1
SCHEMBL520808 0.79 ALDH1A1 (0.66) ALDH1A1LMNASIRT6MAPTCCNE1
SCHEMBL309940 0.79 ALDH1A1 (0.77) ALDH1A1LMNASIRT6MAPTHTR6

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 ALDH1A1 649/4885LMNA 3341/4885SIRT6 1324/4885

“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.