SCHEMBL8293262

SCHEMBL8293262

CC(C)(C)OC(=O)Nc1nc(-c2ccc([N+](=O)[O-])c(N)c2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
RAB9A P51151 2/20 0.48
HDAC8 Q9BY41 2/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
ABL1 P00519 1/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MITF O75030 1/20 0.45
NTSR1 P30989 1/20 0.45
POLB P06746 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL1068548 0.84 RAB9A (0.52) RAB9AMAPTLMNAABL1MEN1
SCHEMBL1068549 0.84 RAB9A (0.52) RAB9AMAPTLMNAABL1MEN1
SCHEMBL7472746 0.80 RAB9A (0.50) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL8293265 0.80 KDM4E (0.53) RAB9AMAPTLMNAMEN1KMT2A
SCHEMBL31311281 0.77 MEN1 (0.58) HDAC3HDAC1HDAC2HDAC10RAB9A
SCHEMBL17548274 0.76 KMT2A (0.55) HDAC3HDAC1HDAC2HDAC10RAB9A
SCHEMBL76691 0.75 PRMT1 (0.46) RAB9AMAPTLMNAMEN1KMT2A
SCHEMBL448401 0.75 CYP3A4 (0.57) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL31311370 0.74 ABL1 (0.71) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL22290428 0.74 MEN1 (0.70) HDAC3HDAC1HDAC2HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 5/4885

“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.