SCHEMBL976167

SCHEMBL976167

O=C(NO)c1cccc2c1oc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
MMP3 P08254 1/20 0.54
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MPO P05164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
ALOX5 P09917 3/20 0.46
HDAC11 Q96DB2 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAOA P21397 1/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL516118 0.87 ALOX5 (0.52) HDAC8HDAC1HDAC6GAAKDM4E
SCHEMBL783749 0.81 NR4A1 (0.50) KDM4EALOX5MAOAALDH1A1GLA
SCHEMBL4586057 0.79 ALOX5 (0.48) HDAC8HDAC1HDAC6KDM4ESMN1; SMN2
SCHEMBL28084237 0.79 ALDH1A1 (0.59) HDAC8HDAC1HDAC6GAAKDM4E
SCHEMBL14825579 0.79 ALOX5 (0.48) HDAC8HDAC1HDAC6KDM4EALOX5
SCHEMBL516174 0.79 KDM4E (0.53) HDAC8HDAC1HDAC6KDM4ESMN1; SMN2
SCHEMBL30827808 0.78 HDAC1 (0.54) HDAC8HDAC1HDAC6GAAKDM4E
SCHEMBL27214907 0.78 HDAC1 (0.54) HDAC8HDAC1HDAC6GAAKDM4E
SCHEMBL22645256 0.77 MAPT (0.51) HDAC8HDAC1HDAC6GAASMN1; SMN2
SCHEMBL8820480 0.75 ALOX5 (0.48) HDAC8HDAC1HDAC6KDM4EALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 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 (2 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC8 8/4885HDAC1 1/4885HDAC6 10/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC8 8/4885HDAC1 1/4885HDAC6 10/4885

“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.