SCHEMBL1608862

SCHEMBL1608862

O=C(NO)c1ccc2ncn(CCOc3cccnc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC1 Q13547 4/20 0.44
SMPD1 P17405 1/20 0.44
LTA4H P09960 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 2/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL1608435 0.87 SMN1; SMN2 (0.51) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608694 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608224 0.83 HDAC6 (0.48) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608605 0.83 HDAC6 (0.50) SMN1; SMN2HTTHDAC6HDAC1SMPD1
SCHEMBL1607816 0.82 SMN1; SMN2 (0.53) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608345 0.82 SMN1; SMN2 (0.58) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1609007 0.81 HDAC6 (0.48) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608374 0.81 HDAC6 (0.59) HDAC6HDAC1
SCHEMBL1608495 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1
SCHEMBL1608583 0.80 SMN1; SMN2 (0.48) SMN1; SMN2HTTL3MBTL1HDAC6HDAC1

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 5 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

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.