SCHEMBL2873207

SCHEMBL2873207

O=C(NO)C(c1ccccc1)c1nnc(-c2ccc(Br)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC4 P56524 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR3 Q99500 1/20 0.46
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
HPN P05981 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL2871480 0.92 HDAC6 (0.56) HDAC1HDAC2HDAC6HDAC4HDAC3
SCHEMBL2871393 0.85 HDAC4 (0.48) HDAC1HDAC2HDAC6HDAC4HDAC3
SCHEMBL4540176 0.84 HDAC1 (0.47) HDAC1HDAC2HDAC6HDAC4HDAC3
SCHEMBL2863430 0.82 HDAC4 (0.50) HDAC1HDAC2HDAC6HDAC4HDAC3
SCHEMBL2864366 0.79 KDM4E (0.47) HDAC1HDAC2HDAC6HDAC4HDAC3
SCHEMBL2868416 0.79 GUSB (0.51) HDAC1HDAC2HDAC6HDAC4HDAC3
SCHEMBL4534515 0.79 KDM4E (0.49) HDAC1HDAC2HDAC6HDAC4HDAC3
SCHEMBL2874972 0.76 KDM4E (0.56) HDAC1HDAC2HDAC6HDAC4HDAC3
SCHEMBL27798455 0.75 HDAC4 (0.81) HDAC1HDAC2HDAC6HDAC4HDAC3
SCHEMBL4534175 0.75 HDAC1 (0.44) HDAC1HDAC2HDAC6HDAC4HDAC3

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
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN claimed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US claimed
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
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP 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 HDAC1 1/4885HDAC2 5/4885HDAC6 9/4885

“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.