SCHEMBL4186359

SCHEMBL4186359

O=C(NO)c1cnc(N2CCN(CCO)CC2)s1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.64
HDAC2 Q92769 13/20 0.64
HDAC3 O15379 12/20 0.64
HDAC4 P56524 12/20 0.64
HDAC1 Q13547 12/20 0.64
HDAC7 Q8WUI4 12/20 0.64
HDAC10 Q969S8 12/20 0.64
HDAC11 Q96DB2 12/20 0.64
HDAC8 Q9BY41 12/20 0.64
HDAC9 Q9UKV0 12/20 0.64
HDAC5 Q9UQL6 12/20 0.64
ABL1 P00519 3/20 0.43
SIK1 P57059 3/20 0.43
SIK2 Q9H0K1 3/20 0.43
SIK3 Q9Y2K2 3/20 0.43
SCD O00767 2/20 0.43
SNCA P37840 1/20 0.42
SRC P12931 1/20 0.42

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
SCHEMBL4294327 0.88 HDAC2 (0.62) HDAC6HDAC2HDAC3HDAC4HDAC1
SCHEMBL4474097 0.88 HDAC2 (0.62) HDAC6HDAC2HDAC3HDAC4HDAC1
SCHEMBL5321500 0.86 SCD (0.49) HDAC6HDAC2HDAC3HDAC4HDAC1
SCHEMBL4818519 0.85 HRH3 (0.50) HDAC6HDAC2HDAC3HDAC4HDAC1
SCHEMBL4161740 0.83 HDAC2 (0.74) HDAC6HDAC2HDAC3HDAC4HDAC1
SCHEMBL4170065 0.83 HDAC4 (0.69) HDAC6HDAC2HDAC3HDAC4HDAC1
SCHEMBL4198413 0.80 HDAC4 (0.71) HDAC6HDAC2HDAC3HDAC4HDAC1
SCHEMBL14164269 0.78 HDAC2 (1.00) HDAC6HDAC2HDAC3HDAC4HDAC1
SCHEMBL4814015 0.78 HDAC2 (0.69) HDAC6HDAC2HDAC3HDAC4HDAC1
SCHEMBL4191552 0.77 HDAC3 (0.67) HDAC6HDAC2HDAC3HDAC4HDAC1

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
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US claimed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US claimed
US-20050234033-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS 2005-10-20 US claimed
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2009-08-13 US disclosed
WO-2009089598-A2 MSMB-GENE METHYLATION BASED DIAGNOSIS, STAGING AND PROGNOSIS OF PROSTATE CANCER KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-07-23 WO disclosed
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US disclosed
US-20050234033-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS 2005-10-20 US disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 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 (4 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-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC10 HDAC6 10/4885HDAC2 5/4885HDAC3 6/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC6 10/4885HDAC2 5/4885HDAC3 6/4885
US-20050234033-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC6 10/4885HDAC2 5/4885HDAC3 6/4885
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer MAT2B, DNMT3B, SHBG HDAC6 4661/4885HDAC2 3643/4885HDAC3 3834/4885

“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.