SCHEMBL76295

SCHEMBL76295

CC(C)(C)OC(=O)N1CC(=O)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.48
NPC1 O15118 1/20 0.46
F10 P00742 6/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN6 P29350 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL3096992 0.85 F10 (0.47) F10
SCHEMBL3097010 0.85 F10 (0.47) F10
SCHEMBL13909447 0.85 NPC1 (0.66) HDAC8NPC1MEN1KMT2A
SCHEMBL6012176 0.84 F10 (0.44) F10
SCHEMBL17474771 0.84 PTPN1 (0.57) HDAC8NPC1MEN1KMT2APTPN1
SCHEMBL13780947 0.82 F10 (0.61) HDAC8NPC1F10MEN1KMT2A
SCHEMBL5837820 0.75 NPC1 (0.55) HDAC8NPC1MEN1KMT2APTPN1
SCHEMBL5837814 0.75 NPC1 (0.55) HDAC8NPC1MEN1KMT2APTPN1
SCHEMBL4485531 0.74 F10 (0.53) F10
SCHEMBL3691160 0.72 HDAC8 (0.58) HDAC8PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 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 (2 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX HDAC8 1111/4885NPC1 2731/4885F10 5/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB HDAC8 2463/4885NPC1 1383/4885F10 22/4885

“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.