SCHEMBL1607705

SCHEMBL1607705

O=C(NO)c1ccc2ccn(CCOc3ccc(CN4CCOCC4)cc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.52
KDM1A O60341 1/20 0.51
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
SAE1 Q9UBE0 1/20 0.48

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
SCHEMBL1608351 0.90 ROCK1 (0.48) HDAC8HDAC6HDAC1HDAC2HDAC11
SCHEMBL1608676 0.90 MCL1 (0.52) L3MBTL1KMT2ANPC1RAB9ACACNA1B
SCHEMBL1608546 0.89 L3MBTL1 (0.52) HDAC8HDAC6HDAC1HDAC2HDAC11
SCHEMBL1607834 0.84 HDAC1 (0.44) HDAC8HDAC6HDAC1HDAC2HDAC11
SCHEMBL1608409 0.82 HDAC8 (0.59) HDAC8HDAC6HDAC1HDAC2HDAC11
SCHEMBL1608383 0.80 HDAC8 (0.56) HDAC8HDAC6HDAC1HDAC2HDAC11
SCHEMBL1608589 0.80 HDAC6 (0.56) HDAC8HDAC6HDAC1HDAC2HDAC11
SCHEMBL1608311 0.80 HDAC6 (0.60) HDAC8HDAC6HDAC1HDAC2HDAC11
SCHEMBL1608691 0.79 ROCK2 (0.46) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL17676749 0.79 KDM4E (0.55) HDAC8HDAC6HDAC1HDAC2HDAC11

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 13 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
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-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-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-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
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 HDAC8 1/4885HDAC6 11/4885HDAC1 2/4885
US-20150320758-A1 SELECTIVE INHIBITORS OF HISTONE DEACTYLASE HDAC8, HDAC1, HDAC5 HDAC8 1/4885HDAC6 11/4885HDAC1 2/4885
US-20140004174-A1 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC11 HDAC8 1/4885HDAC6 11/4885HDAC1 2/4885

“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.