SCHEMBL1608435

SCHEMBL1608435

O=C(NO)c1ccc2ncn(CCOc3ccncc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
HDAC6 Q9UBN7 5/20 0.45
HDAC1 Q13547 2/20 0.45
LTA4H P09960 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 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
SCHEMBL1608345 0.88 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1607816 0.88 SMN1; SMN2 (0.53) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608862 0.87 SMN1; SMN2 (0.47) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608187 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608583 0.84 SMN1; SMN2 (0.48) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608694 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608224 0.83 HDAC6 (0.48) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1609007 0.82 HDAC6 (0.48) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608597 0.82 HDAC6 (0.54) HDAC6HDAC1TBXAS1
SCHEMBL1608689 0.81 HDAC6 (0.64) HDAC6HDAC1

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-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE PHARMACYCLICS LLC 2015-11-12 US disclosed
US-8906954-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-09 US disclosed
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2014-01-02 US disclosed
US-8466193-B2 Selective inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2013-06-18 US disclosed
US-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2011-04-07 US disclosed
EP-2265590-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2010-12-29 EP disclosed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 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 (3 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-20110081409-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 SMN1; SMN2 1689/4885HTT 341/4885L3MBTL1 1211/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 SMN1; SMN2 1847/4885HTT 290/4885L3MBTL1 1562/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 SMN1; SMN2 1689/4885HTT 341/4885L3MBTL1 1211/4885

“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.