SCHEMBL517295

SCHEMBL517295

COc1cc(N2CCC(NC3CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
LMNA P02545 3/20 0.70
SIRT6 Q8N6T7 2/20 0.67
MAPT P10636 13/20 0.66
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 4/20 0.49
CYP2C19 P33261 4/20 0.49
CYP2C9 P11712 3/20 0.49
HTT P42858 2/20 0.49
HTR6 P50406 2/20 0.48
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.45
OPRK1 P41145 1/20 0.44
CYP3A4 P08684 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
SCHEMBL23654833 0.90 ALDH1A1 (0.70) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL517279 0.86 ALDH1A1 (0.64) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL517280 0.86 ALDH1A1 (0.64) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL12312068 0.85 ALDH1A1 (0.63) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL28347104 0.85 ALDH1A1 (0.73) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL311272 0.85 ALDH1A1 (0.73) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL10207746 0.85 LMNA (0.73) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL517612 0.84 ALDH1A1 (0.61) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL2952969 0.83 ALDH1A1 (0.67) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL29788578 0.83 ALDH1A1 (1.00) ALDH1A1LMNASIRT6MAPTMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601186-A2 4-(1H-INDOL-3-YL)-PYRIMIDINES AS ALK INHIBITORS AstraZeneca AB (SE) 2013-06-12 EP disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 US disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
WO-2012017239-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 WO disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 US disclosed
US-20120028924-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-02 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-20120028924-A1 CHEMICAL COMPOUNDS ALK, BRAF, ABL1 ALDH1A1 214/4885LMNA 1889/4885SIRT6 4345/4885

“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.