SCHEMBL3772867

SCHEMBL3772867

O=C(NO)c1ccc(N2CCC(CNCC3CCC(CN[C@H](C(=O)O)C4CCCCC4)CC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.47
KDM1A O60341 1/20 0.47
HDAC8 Q9BY41 9/20 0.43
HDAC3 O15379 7/20 0.43
HDAC1 Q13547 6/20 0.42
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39

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
SCHEMBL27899512 1.00 HDAC6 (0.47) HDAC6KDM1AHDAC8HDAC3HDAC1
SCHEMBL3770556 0.97 HDAC6 (0.50) HDAC6KDM1AHDAC8HDAC3HDAC1
SCHEMBL27899511 0.97 HDAC6 (0.50) HDAC6KDM1AHDAC8HDAC3HDAC1
SCHEMBL8195555 0.90 KDM4E (0.40) HDAC6KDM1AHDAC8HDAC3HDAC1
SCHEMBL13061431 0.89 HDAC6 (0.45) HDAC6KDM1AHDAC8HDAC3HDAC1
SCHEMBL3772418 0.88 HDAC6 (0.59) HDAC6KDM1AHDAC8HDAC3HDAC1
SCHEMBL8202923 0.88 HDAC6 (0.46) HDAC6KDM1AHDAC8HDAC3HDAC1
SCHEMBL27784572 0.88 HDAC6 (0.46) HDAC6KDM1AHDAC8HDAC3HDAC1
SCHEMBL8202073 0.87 HDAC8 (0.40) HDAC6KDM1AHDAC8HDAC3HDAC1
SCHEMBL13061218 0.86 HDAC6 (0.47) HDAC6KDM1AHDAC8HDAC3HDAC1

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 11 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-8962825-B2 Hydroxamates as inhibitors of histone deacetylase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-02-24 US disclosed
EP-2077999-B1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD (GB) 2014-07-30 EP disclosed
CN-101553475-B Hydroxamic acids as inhibitors of histone deacetylase CHROMA THERAPEUTICS LTD 2013-04-24 CN 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
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
EP-2077999-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Chroma Therapeutics Limited (GB) 2009-07-15 EP disclosed
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO 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 23/4885KDM1A 42/4885HDAC8 20/4885

“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.