SCHEMBL1014237

SCHEMBL1014237

O=C(O)N1CC2C(C1)C2NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
KAT6A Q92794 4/20 0.50
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F10 P00742 1/20 0.47
TBXA2R P21731 2/20 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
SCHEMBL1012369 0.83 HDAC3 (0.52) HDAC3CYP3A4CYP2D6CYP2C19HDAC4
SCHEMBL2097769 0.80 KMT2A (0.65) KAT6AKMT2AALDH1A1SMN1; SMN2F10
SCHEMBL1011764 0.79 HDAC3 (0.81) HDAC3CYP3A4CYP2D6CYP2C19HDAC4
SCHEMBL12723228 0.78 KMT2A (0.56) HDAC3CYP3A4CYP2D6CYP2C19HDAC4
SCHEMBL8251837 0.77 L3MBTL1 (0.51) HDAC3CYP3A4CYP2D6CYP2C19HDAC4
SCHEMBL27917788 0.77 ALDH1A1 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL1009699 0.76 CYP3A4 (0.48) HDAC3CYP3A4CYP2D6CYP2C19HDAC4
SCHEMBL1012540 0.75 HDAC3 (1.00) HDAC3CYP3A4CYP2D6CYP2C19HDAC4
SCHEMBL1066798 0.75 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL1013953 0.73 HDAC3 (0.71) HDAC3CYP3A4CYP2D6CYP2C19HDAC4

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-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
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 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 (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 6/4885CYP3A4 3127/4885CYP2D6 2179/4885

“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.