SCHEMBL4170065

SCHEMBL4170065

O=C(NO)c1cnc(N2CCN(CCc3ccccc3)CC2)s1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 11/20 0.69
HDAC1 Q13547 11/20 0.69
HDAC2 Q92769 11/20 0.69
HDAC3 O15379 10/20 0.69
HDAC7 Q8WUI4 10/20 0.69
HDAC10 Q969S8 10/20 0.69
HDAC11 Q96DB2 10/20 0.69
HDAC8 Q9BY41 10/20 0.69
HDAC6 Q9UBN7 10/20 0.69
HDAC9 Q9UKV0 10/20 0.69
HDAC5 Q9UQL6 10/20 0.69
ALDH1A1 P00352 1/20 0.48
SNCA P37840 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL5318560 0.89 HDAC3 (0.54) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL4198413 0.88 HDAC4 (0.71) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL4814724 0.87 HDAC3 (0.53) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL4186359 0.83 HDAC6 (0.64) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL5372691 0.82 HDAC3 (0.68) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL4294327 0.82 HDAC2 (0.62) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL4474097 0.82 HDAC2 (0.62) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL14164270 0.81 HDAC3 (1.00) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL4814015 0.81 HDAC2 (0.69) HDAC4HDAC1HDAC2HDAC3HDAC7
SCHEMBL4171699 0.80 HDAC3 (0.71) HDAC4HDAC1HDAC2HDAC3HDAC7

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 HDAC4 11/4885HDAC1 1/4885HDAC2 5/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC4 11/4885HDAC1 1/4885HDAC2 5/4885
US-20050234033-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC4 11/4885HDAC1 1/4885HDAC2 5/4885
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer MAT2B, DNMT3B, SHBG HDAC4 2788/4885HDAC1 3460/4885HDAC2 3643/4885

“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.