SCHEMBL7958755

SCHEMBL7958755

CCOC(=O)c1ccc(N2CC3[C@@H]2CN3c2cccc(C)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTT P42858 3/20 0.48
HPGD P15428 2/20 0.48
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSP90AA1 P07900 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
CDC25B P30305 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL12428589 1.00 TDP1 (0.50) TDP1L3MBTL1HTTHPGDMGLL
SCHEMBL1365785 0.88 TDP1 (0.48) TDP1L3MBTL1HTTHPGDMGLL
SCHEMBL7954060 0.80 HDAC6 (0.51) HPGDLMNASMN1; SMN2NPC1POLB
SCHEMBL14780864 0.80 HDAC6 (0.51) HPGDLMNASMN1; SMN2NPC1POLB
SCHEMBL16302086 0.77 ALDH1A1 (0.49) TDP1HTTHPGDALDH1A1HSP90AA1
SCHEMBL14780871 0.77 ALDH1A1 (0.49) TDP1HTTHPGDALDH1A1HSP90AA1
SCHEMBL11381594 0.77 HTT (0.59) TDP1HTTHPGDALDH1A1HSP90AA1
SCHEMBL2385947 0.75 HTT (0.48) TDP1HTTHPGDALDH1A1HSP90AA1
SCHEMBL12428588 0.74 HTT (0.50) TDP1HTTHPGDALDH1A1HSP90AA1
SCHEMBL7958753 0.74 HTT (0.50) TDP1HTTHPGDALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors FMR LLC 2016-08-04 US disclosed
EP-2489657-A2 Inhibitors of histone deacetylase MethylGene Inc. (CA) 2012-08-22 EP disclosed
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP disclosed
WO-2009137503-A1 HDAC INHIBITORS AND USES THEREOF ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2009137462-A2 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE ENVIVO PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
WO-2008055068-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-05-08 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-20160222026-A1 Dibenzo[B,F][1,4]oxazepin-11-yl-N-Hydroxybenzamides as HDAC Inhibitors HDAC1, HDAC2, HDAC4 TDP1 2110/4885L3MBTL1 599/4885HTT 1202/4885

“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.