SCHEMBL4292254

SCHEMBL4292254

O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccccc3-c3ccccc3CN3CCCC3)CC2)s1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.61
HDAC3 O15379 17/20 0.61
HDAC4 P56524 17/20 0.61
HDAC7 Q8WUI4 17/20 0.61
HDAC2 Q92769 17/20 0.61
HDAC10 Q969S8 17/20 0.61
HDAC11 Q96DB2 17/20 0.61
HDAC8 Q9BY41 17/20 0.61
HDAC6 Q9UBN7 17/20 0.61
HDAC9 Q9UKV0 17/20 0.61
HDAC5 Q9UQL6 17/20 0.61
SCD O00767 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5340670 0.82 HDAC3 (0.64) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4166775 0.80 HDAC1 (0.74) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4183793 0.79 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4025219 0.79 HDAC1 (0.72) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4016976 0.79 HDAC2 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL6364605 0.78 HDAC1 (0.63) HDAC1HDAC3HDAC4HDAC7HDAC2
Hydroxyamine SCHEMBL4553678 0.78 HDAC3 (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4019056 0.77 HDAC3 (0.70) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4289611 0.77 HDAC2 (0.62) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4018579 0.76 HDAC1 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 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
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 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 (2 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-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.