SCHEMBL13007262

SCHEMBL13007262

O=C(NO)c1cnc(N2CCC(NCc3ccc(CN[C@H](C(=O)OC4CCCC4)c4ccccc4)cc3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.49
HDAC6 Q9UBN7 13/20 0.49
HDAC3 O15379 12/20 0.49
HDAC4 P56524 12/20 0.49
HDAC7 Q8WUI4 12/20 0.49
HDAC2 Q92769 12/20 0.49
HDAC10 Q969S8 12/20 0.49
HDAC11 Q96DB2 12/20 0.49
HDAC8 Q9BY41 12/20 0.49
HDAC9 Q9UKV0 12/20 0.49
HDAC5 Q9UQL6 12/20 0.49
KDM1A O60341 3/20 0.47
DGAT2 Q96PD7 3/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MMP2 P08253 1/20 0.42
LTA4H P09960 1/20 0.42
MMP9 P14780 1/20 0.42
ANPEP P15144 1/20 0.42
LAP3 P28838 1/20 0.42

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
SCHEMBL13061239 0.86 HDAC6 (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL13007264 0.86 HDAC6 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8194315 0.84 HDAC3 (0.59) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL13061216 0.84 HDAC3 (0.59) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL8204490 0.84 HDAC6 (0.37) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3772993 0.84 HDAC1 (0.45) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL3773002 0.84 HDAC1 (0.45) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL15906826 0.82 HDAC6 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL13007259 0.82 HDAC6 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL13061427 0.80 HDAC6 (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7

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-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
US-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 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-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE H1-2, HDAC1, H1-0 HDAC1 2/4885HDAC6 23/4885HDAC3 13/4885

“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.