SCHEMBL4532733

SCHEMBL4532733

O=C(NO)C1c2ccccc2-c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 1.00
HDAC7 Q8WUI4 5/20 1.00
HDAC5 Q9UQL6 5/20 1.00
HDAC3 O15379 4/20 1.00
HDAC6 Q9UBN7 4/20 1.00
HDAC8 Q9BY41 3/20 1.00
HDAC9 Q9UKV0 3/20 1.00
NCOR2 Q9Y618 1/20 1.00
HDAC1 Q13547 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.43
POLB P06746 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
SCHEMBL11122542 0.81 HDAC4 (0.68) HDAC4HDAC7HDAC5HDAC3HDAC6
SCHEMBL27614723 0.81 HDAC4 (0.68) HDAC4HDAC7HDAC5HDAC3HDAC6
SCHEMBL3704673 0.78 HDAC6 (0.63) HDAC4HDAC7HDAC5HDAC3HDAC6
SCHEMBL27664492 0.78 HDAC4 (0.63) HDAC4HDAC7HDAC5HDAC3HDAC6
SCHEMBL2843958 0.78 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC3HDAC6
SCHEMBL4541577 0.78 HDAC4 (0.79) HDAC4HDAC7HDAC5HDAC3HDAC6
SCHEMBL4541357 0.78 HDAC4 (1.00) HDAC4HDAC7HDAC5HDAC3HDAC6
SCHEMBL9958705 0.77 HDAC4 (0.62) HDAC4HDAC7HDAC5HDAC3HDAC6
SCHEMBL27558512 0.77 HDAC3 (0.61) HDAC4HDAC7HDAC5HDAC3HDAC6
SCHEMBL22461359 0.76 HDAC4 (0.61) HDAC4HDAC7HDAC5HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 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-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 HDAC4 10/4885HDAC7 7/4885HDAC5 4/4885

“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.