SCHEMBL13348258

SCHEMBL13348258

C=C1OB(c2ccc3c(c2)C(=O)NC3=O)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.37
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
MAOA P21397 7/20 0.32
MAOB P27338 7/20 0.32
GRM5 P41594 3/20 0.32
GSK3B P49841 1/20 0.32
HPGD P15428 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 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
SCHEMBL13406686 0.81 CA1 (0.37)
SCHEMBL328270 0.80 DAPK3 (0.38) GRM5GSK3B
SCHEMBL12646193 0.80 CLK4 (0.39) GSK3B
SCHEMBL29909145 0.79 LPL (0.43) PPOXCYP3A4TDP1GSK3B
SCHEMBL3450261 0.79 LPL (0.43) PPOXCYP3A4TDP1GSK3B
SCHEMBL12908021 0.78
SCHEMBL13474635 0.78 LPL (0.38)
SCHEMBL12845835 0.77 PDE3B (0.33)
SCHEMBL10224843 0.77 PBRM1 (0.39)
SCHEMBL12094128 0.75 NPC1 (0.31)

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD PPOX 470/4885CYP3A4 32/4885TDP1 3828/4885

“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.