SCHEMBL4025219

SCHEMBL4025219

O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccccc3F)CC2)s1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 17/20 0.72
HDAC3 O15379 16/20 0.72
HDAC4 P56524 16/20 0.72
HDAC7 Q8WUI4 16/20 0.72
HDAC2 Q92769 16/20 0.72
HDAC10 Q969S8 16/20 0.72
HDAC11 Q96DB2 16/20 0.72
HDAC8 Q9BY41 16/20 0.72
HDAC6 Q9UBN7 16/20 0.72
HDAC9 Q9UKV0 16/20 0.72
HDAC5 Q9UQL6 16/20 0.72
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
DCTPP1 Q9H773 1/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45

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
SCHEMBL4166775 0.88 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4019056 0.87 HDAC3 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4183793 0.87 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4018579 0.84 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4191540 0.82 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4021545 0.82 HDAC3 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4168387 0.82 HDAC3 (0.78) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4186694 0.81 HDAC3 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4289391 0.81 HDAC3 (0.71) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4179056 0.81 HDAC3 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP claimed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US claimed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO claimed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 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
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
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO disclosed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 US 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-20050197336-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC3 6/4885HDAC4 11/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 HDAC1 1/4885HDAC3 6/4885HDAC4 11/4885
US-20090203010-A1 MSMB-gene based diagnosis, staging and prognosis of prostate cancer MAT2B, DNMT3B, SHBG HDAC1 3460/4885HDAC3 3834/4885HDAC4 2788/4885

“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.