SCHEMBL1011764

SCHEMBL1011764

O=C(O)c1cnc(N2CC3C(C2)C3NS(=O)(=O)c2ccc3ccccc3c2)nc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 15/20 0.81
HDAC4 P56524 15/20 0.81
HDAC1 Q13547 15/20 0.81
HDAC7 Q8WUI4 15/20 0.81
HDAC2 Q92769 15/20 0.81
HDAC10 Q969S8 15/20 0.81
HDAC11 Q96DB2 15/20 0.81
HDAC8 Q9BY41 15/20 0.81
HDAC6 Q9UBN7 15/20 0.81
HDAC9 Q9UKV0 15/20 0.81
HDAC5 Q9UQL6 15/20 0.81
CYP2D6 P10635 2/20 0.81
CYP3A4 P08684 1/20 0.81
CYP2C19 P33261 1/20 0.81
KCNH2 Q12809 1/20 0.46
SLC16A3 O15427 1/20 0.45
KAT6A Q92794 1/20 0.45
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1012540 0.90 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012015 0.89 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL1013953 0.87 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL1012662 0.86 HDAC3 (0.88) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011661 0.86 HDAC3 (0.72) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2098398 0.83 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011609 0.81 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1014259 0.80 HDAC3 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1009659 0.79 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1010052 0.79 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US disclosed
EP-1881977-A1 HISTONE DEACETYLASE INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-30 EP disclosed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 WO disclosed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 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 (1 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 HDAC3 6/4885HDAC4 7/4885HDAC1 1/4885

“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.