SCHEMBL12413576

SCHEMBL12413576

CCOC(=O)/C(=C\N[C@H](CO)C(C)C)C(=O)c1cc(Br)c(C)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
NPSR1 Q6W5P4 4/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
GAA P10253 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GPR35 Q9HC97 1/20 0.34
DHODH Q02127 3/20 0.33
MAPK1 P28482 2/20 0.33
ABCB1 P08183 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
S1PR1 P21453 1/20 0.33
RECQL P46063 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPY1R P25929 1/20 0.31

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
SCHEMBL12506513 0.89 MAPT (0.34) MAPTNPSR1KDM4ETDP1GAA
SCHEMBL12107834 0.84 MAPT (0.34) MAPTNPSR1KDM4ETDP1GAA
SCHEMBL13225660 0.82 MAPT (0.33) MAPTNPSR1KDM4ETDP1GAA
SCHEMBL19821097 0.82 MAPT (0.33) MAPTNPSR1KDM4ETDP1GAA
SCHEMBL13596329 0.82 MAPT (0.33) MAPTNPSR1KDM4ETDP1GAA
SCHEMBL1300330 0.81 MAPT (0.32) MAPTNPSR1KDM4ETDP1GAA
SCHEMBL1300763 0.81 NPSR1 (0.39) MAPTNPSR1KDM4ETDP1GAA
SCHEMBL18240223 0.81 LMNA (0.36) MAPTNPSR1KDM4EGAAMEN1
SCHEMBL4408709 0.81 LMNA (0.36) MAPTNPSR1KDM4EGAAMEN1
SCHEMBL18627849 0.81 LMNA (0.36) MAPTNPSR1KDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP MAPT 3259/4885NPSR1 4732/4885KDM4E 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.