SCHEMBL8203576

SCHEMBL8203576

O=C(NO)c1ccc(N2CCC(CNCc3ccc(CN[C@H](C(=O)OC4CCCC4)C4CCCCC4)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 12/20 0.54
HDAC1 Q13547 7/20 0.47
HDAC3 O15379 6/20 0.47
HDAC8 Q9BY41 6/20 0.47
HDAC4 P56524 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
KDM1A O60341 1/20 0.43
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL28780389 1.00 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL28780382 1.00 HDAC6 (0.54) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL8202871 0.92 HDAC6 (0.43) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL13061247 0.91 HDAC6 (0.56) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL27762759 0.90 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL8203236 0.90 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL27762756 0.90 HDAC6 (0.48) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL8202923 0.89 HDAC6 (0.46) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL27784572 0.89 HDAC6 (0.46) HDAC6HDAC1HDAC3HDAC8HDAC4
SCHEMBL3778756 0.88 HDAC6 (0.59) HDAC6HDAC1HDAC3HDAC8HDAC4

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-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
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 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-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE H1-2, HDAC1, H1-0 HDAC6 23/4885HDAC1 2/4885HDAC3 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.