SCHEMBL3207365

SCHEMBL3207365

COCCCNC(=O)c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 14/20 0.72
ALDH1A1 P00352 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
GAA P10253 1/20 0.55
HPGD P15428 2/20 0.54

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
SCHEMBL3192766 0.93 SMYD3 (0.68) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL29130708 0.88 SMYD3 (0.63) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL4935353 0.86 SMYD3 (0.74) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL3193145 0.85 SMYD3 (0.71) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL26301 0.84 SMYD3 (0.71) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL3182105 0.84 SMYD3 (0.71) SMYD3ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL19701263 0.84 SMYD3 (1.00) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL3182622 0.84 SMYD3 (0.70) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL3195896 0.81 SMYD3 (0.67) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL19710291 0.81 SMYD3 (1.00) SMYD3HDAC3HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683067-B2 3-heterocyclyl-indole derivatives as inhibitors of glycogen synthase kinase-3 (GSK-3) ASTRAZENECA AB (SE) 2010-03-23 US disclosed
US-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) ASTRAZENECA AB (SE) 2008-11-06 US disclosed
EP-1667990-A2 NEW COMPOUNDS AstraZeneca AB (SE) 2006-06-14 EP disclosed
WO-2005027823-A2 3-HETEROCYCLYL-INDOLE DERIVATIVES AS INHIBITORS OF GLYCOGEN SYNTHASE KINASE-3 (GSK-3) ASTRAZENECA AB (SE) 2005-03-31 WO 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-20080275041-A1 3-Heterocyclyl-Indole Derivatives as Inhibitors of Glycogen Synthase Kinase-3 (Gsk-3) GSK3B, GSK3A, GSKIP SMYD3 1122/4885ALDH1A1 2460/4885HDAC3 283/4885

“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.