SCHEMBL973625

SCHEMBL973625

O=C(NO)c1ccccc1-c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.54
GAA P10253 4/20 0.47
KDM4E B2RXH2 2/20 0.47
MPO P05164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC2 Q92769 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
MMP3 P08254 1/20 0.43
LTA4H P09960 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.41

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
SCHEMBL28496788 0.85 KDM4E (0.49) HDAC1GAAKDM4ELTA4HALDH1A1
SCHEMBL28522655 0.85 KDM4E (0.53) HDAC1GAAKDM4ESMN1; SMN2HDAC2
SCHEMBL17103159 0.82 CYP3A4 (0.61) GAAKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL12922049 0.81 HDAC7 (0.50) HDAC1KDM4ESMN1; SMN2HDAC8HDAC6
SCHEMBL8670497 0.81 LTA4H (0.45) GAAKDM4ELTA4HMAPTALDH1A1
SCHEMBL31666889 0.81 RAB9A (0.46) HDAC1GAAKDM4ESMN1; SMN2HDAC2
SCHEMBL932848 0.80 ALOX15 (0.53) KDM4ESMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL3026631 0.79 GAA (0.64) HDAC1GAAKDM4EMPOSMN1; SMN2
SCHEMBL11678330 0.79 HCRTR1 (0.44) GAAKDM4ELMNAMAPTALDH1A1
SCHEMBL1023432 0.79 ALDH1A1 (0.42) GAAKDM4ELTA4HLMNAMAPT

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
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
EP-2217588-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-08-18 EP disclosed
WO-2009055917-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2009-05-07 WO 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 HDAC1 1/4885GAA 245/4885KDM4E 165/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 HDAC1 1/4885GAA 245/4885KDM4E 165/4885

“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.