SCHEMBL1609016

SCHEMBL1609016

O=C(NO)c1cc2c(ccn2CCOc2ccc(Cl)cc2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.40
KMO O15229 1/20 0.38
HDAC8 Q9BY41 3/20 0.38
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.38
EIF4EBP1 Q13541 6/20 0.38
S1PR4 O95977 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
MCL1 Q07820 2/20 0.36
NR4A2 P43354 1/20 0.35
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
NCOR2 Q9Y618 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL1608513 0.90 HDAC6 (0.37) HDAC6HDAC8PPARGLMNAHDAC3
SCHEMBL1608755 0.86 HDAC6 (0.42) HDAC6HDAC8S1PR4NPC1RAB9A
SCHEMBL1609258 0.84 MCL1 (0.43) HDAC6HDAC8FFAR1PPARGMCL1
SCHEMBL1608657 0.84 HDAC8 (0.49) HDAC6KMOHDAC8FFAR1PPARG
SCHEMBL1608379 0.83 PTPN1 (0.39) HDAC6HDAC8PPARGLMNAMCL1
SCHEMBL1609260 0.83 HTR7 (0.40) HDAC6HDAC8FFAR1PPARGEIF4EBP1
SCHEMBL1608699 0.83 MCL1 (0.41) HDAC6HDAC8FFAR1PPARGRAB9A
SCHEMBL1608787 0.82 MCL1 (0.43) HDAC6HDAC8FFAR1PPARGMCL1
SCHEMBL1607731 0.80 GRIN2B (0.42) HDAC6EIF4EBP1NPC1LMNAPKM
SCHEMBL1609272 0.78 MCL1 (0.47) HDAC6HDAC8LMNAPKMMCL1

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 HDAC6 11/4885KMO 3436/4885HDAC8 1/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC6 11/4885KMO 2752/4885HDAC8 1/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC6 11/4885KMO 3436/4885HDAC8 1/4885

“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.