SCHEMBL975339

SCHEMBL975339

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.53
F10 P00742 13/20 0.47
GCK P35557 6/20 0.45

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
SCHEMBL13822775 0.87 F10 (0.44) GRAMD1AF10
SCHEMBL3703942 0.87 F10 (0.44) GRAMD1AF10
SCHEMBL22966870 0.86 GRAMD1A (0.49) GRAMD1AF10GCK
SCHEMBL975546 0.84 HDAC3 (0.42) GRAMD1AF10
SCHEMBL975544 0.84 HDAC3 (0.42) GRAMD1AF10
SCHEMBL19712965 0.84 GRAMD1A (0.49) GRAMD1AF10GCK
SCHEMBL30076235 0.84 GRAMD1A (0.49) GRAMD1AF10GCK
SCHEMBL19713053 0.82 PDCD1 (0.49) GRAMD1AF10GCK
SCHEMBL30076348 0.82 PDCD1 (0.49) GRAMD1AF10GCK
SCHEMBL975563 0.80 F10 (0.48) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 GRAMD1A 2894/4885F10 2726/4885GCK 2242/4885

“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.