SCHEMBL517904

SCHEMBL517904

COc1cc([P]2(O)CCC(N(C(=O)O)C(C)(C)C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
SIRT6 Q8N6T7 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHEK1 O14757 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TTR P02766 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 2/20 0.33
PDE5A O76074 1/20 0.32
SNCA P37840 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL517902 0.90 ALDH1A1 (0.37) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL517903 0.78 ALDH1A1 (0.37) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL517496 0.70 ALDH1A1 (0.41) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL10182159 0.67 DRD2 (0.41) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL30184525 0.66 ALDH1A1 (0.52) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL30184632 0.65 ALDH1A1 (0.44) ALDH1A1LMNASIRT6MAPTTDP1
SCHEMBL11916217 0.65 ALDH1A1 (0.51) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL22233801 0.65 ALDH1A1 (0.48) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL16989744 0.65 ALDH1A1 (0.48) ALDH1A1LMNAMAPTL3MBTL1PKM
SCHEMBL16989746 0.65 ALDH1A1 (0.48) ALDH1A1LMNAMAPTL3MBTL1PKM

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
US-8461170-B2 Chemical compounds ASTRAZENECA AB (SE) 2013-06-11 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.