SCHEMBL517903

SCHEMBL517903

COc1cc([PH]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 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
LMNA P02545 4/20 0.37
SIRT6 Q8N6T7 1/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHEK1 O14757 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PDE5A O76074 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 2/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL517904 0.78 ALDH1A1 (0.37) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL517902 0.78 ALDH1A1 (0.37) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL16989744 0.65 ALDH1A1 (0.48) ALDH1A1LMNAMAPTL3MBTL1HTT
SCHEMBL16989745 0.65 ALDH1A1 (0.48) ALDH1A1LMNAMAPTL3MBTL1HTT
SCHEMBL16989746 0.65 ALDH1A1 (0.48) ALDH1A1LMNAMAPTL3MBTL1HTT
SCHEMBL517750 0.64 ALDH1A1 (0.62) ALDH1A1LMNASIRT6MAPTTDP1
SCHEMBL517751 0.64 ALDH1A1 (0.62) ALDH1A1LMNASIRT6MAPTTDP1
SCHEMBL2946295 0.64 CHEK1 (0.50) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL2946298 0.64 CHEK1 (0.50) ALDH1A1LMNASIRT6MAPTKMT2A
SCHEMBL16989741 0.63 MAPK1 (0.49) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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.