SCHEMBL3779495

SCHEMBL3779495

O=C(NO)c1cnc(N2CC3C(CNCc4ccc(CN[C@H](C(=O)O)c5ccccc5)cc4)C3C2)nc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 0.67
HDAC4 P56524 20/20 0.67
HDAC1 Q13547 20/20 0.67
HDAC7 Q8WUI4 20/20 0.67
HDAC2 Q92769 20/20 0.67
HDAC10 Q969S8 20/20 0.67
HDAC11 Q96DB2 20/20 0.67
HDAC8 Q9BY41 20/20 0.67
HDAC6 Q9UBN7 20/20 0.67
HDAC9 Q9UKV0 20/20 0.67
HDAC5 Q9UQL6 20/20 0.67
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 1/20 0.51
KCNH2 Q12809 1/20 0.47

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
SCHEMBL13061216 0.88 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8194315 0.88 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8253132 0.88 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15906831 0.86 HDAC6 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8253970 0.82 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8251729 0.81 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13061422 0.80 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13061427 0.78 HDAC6 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1010542 0.77 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8195697 0.75 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-2077999-B1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD (GB) 2014-07-30 EP 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

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 HDAC3 13/4885HDAC4 10/4885HDAC1 2/4885

“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.