SCHEMBL12110583

SCHEMBL12110583

CCOC(=O)/C(=C\N[C@H](CCC(C)(C)[Si](C)(C)O)C(C)C)C(=O)c1cc(Cl)ncc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 3/20 0.32
RECQL P46063 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL1300763 0.86 NPSR1 (0.39) NPSR1MAPTKDM4ETDP1LMNA
SCHEMBL1300760 0.86 NPSR1 (0.39) NPSR1MAPTKDM4ETDP1LMNA
SCHEMBL12108356 0.83 NPSR1 (0.35) NPSR1MAPTKDM4ETDP1LMNA
SCHEMBL12110921 0.76 MAPT (0.32) NPSR1MAPTKDM4ETDP1GAA
SCHEMBL16385504 0.76 METTL3 (0.39) NPSR1MAPTKDM4ETDP1
SCHEMBL8202831 0.74 NPSR1 (0.44) NPSR1MAPTKDM4ETDP1LMNA
SCHEMBL16854765 0.74 ALDH1A1 (0.30) ALDH1A1GAA
SCHEMBL14611574 0.74 ALDH1A1 (0.30) ALDH1A1GAA
SCHEMBL3289338 0.73 NPSR1 (0.43) NPSR1MAPTKDM4ETDP1LMNA
SCHEMBL12108199 0.72 NPSR1 (0.36) NPSR1MAPTKDM4ETDP1LMNA

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-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 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 (2 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP NPSR1 4732/4885MAPT 3259/4885KDM4E 656/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP NPSR1 4732/4885MAPT 3259/4885KDM4E 656/4885

“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.