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) —
SCHEMBL12646193 0.80 CLK4 (0.39) GSK3B
SCHEMBL328270 0.80 DAPK3 (0.38) GRM5GSK3B
SCHEMBL3450261 0.79 LPL (0.43) PPOXCYP3A4TDP1GSK3B
SCHEMBL29909145 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.

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