Sugi Predict

Sugi Predict / Compounds / SCHEMBL1609007

SCHEMBL1609007

SCHEMBL1609007

O=C(NO)c1ccc2ncn(CCOc3ccccn3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC1 Q13547 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ LMNA P02545 4/20 0.40
▸ F2 P00734 2/20 0.39
▸ F10 P00742 2/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ EGLN3 Q9H6Z9 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL1607726 0.83 HDAC6 (0.49) HDAC6HDAC1SMN1; SMN2HTTRAB9A
SCHEMBL1608435 0.82 SMN1; SMN2 (0.51) HDAC6HDAC1SMN1; SMN2HTTL3MBTL1
SCHEMBL1608256 0.82 HDAC6 (0.47) HDAC6HDAC1SMN1; SMN2HTTRAB9A
SCHEMBL1607539 0.82 LMNA (0.62) HDAC6HDAC1SMN1; SMN2HTTRAB9A
SCHEMBL1608862 0.81 SMN1; SMN2 (0.47) HDAC6HDAC1SMN1; SMN2HTTL3MBTL1
SCHEMBL1608175 0.80 HDAC6 (0.58) HDAC6HDAC1HDAC8F2F10
SCHEMBL1608345 0.79 SMN1; SMN2 (0.58) HDAC6HDAC1SMN1; SMN2HTTL3MBTL1
SCHEMBL1607816 0.79 SMN1; SMN2 (0.53) HDAC6HDAC1SMN1; SMN2HTTL3MBTL1
SCHEMBL1608694 0.79 SMN1; SMN2 (0.47) HDAC6HDAC1SMN1; SMN2HTTL3MBTL1
SCHEMBL1608224 0.79 HDAC6 (0.48) HDAC6HDAC1SMN1; SMN2HTTL3MBTL1

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 HDAC6 11/4885HDAC1 2/4885SMN1; SMN2 1689/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885HDAC1 2/4885SMN1; SMN2 1847/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885HDAC1 2/4885SMN1; SMN2 1689/4885

“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.