SCHEMBL1608668

SCHEMBL1608668

C=CC(=O)N(O)c1ccc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
AKT1 P31749 1/20 0.31
DAO P14920 1/20 0.31
RAB9A P51151 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL1886871 0.69 POLB (0.30)
SCHEMBL10538059 0.69 GRIN2D (0.32) NAPRTMAPTKDM4EGAADAO
SCHEMBL648421 0.68 AKT1 (0.45) MAPTKDM4EAKT1RAB9ATSHR
SCHEMBL3208023 0.68
SCHEMBL761137 0.67 MEN1 (0.38) NAPRTMAPTKDM4EGAARAB9A
SCHEMBL29002218 0.66 NAPRT (0.42) NAPRTMAPTKDM4EGAADAO
SCHEMBL8608290 0.64
SCHEMBL9021854 0.63 NAPRT (0.39) NAPRTMAPTKDM4EGAADAO
SCHEMBL9836556 0.63 HPGD (0.35) MAPTKDM4EGAARAB9A
SCHEMBL31326784 0.62 DAO (0.35) NAPRTMAPTKDM4EGAADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265590-B1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC (US) 2016-04-13 EP disclosed
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 NAPRT 886/4885MAPT 1413/4885KDM4E 281/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 NAPRT 649/4885MAPT 1549/4885KDM4E 181/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 NAPRT 886/4885MAPT 1413/4885KDM4E 281/4885

“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.