SCHEMBL8249286

SCHEMBL8249286

O=C(NO)c1cnc(N2CC3C(C2)C3N(CCN2CCOCC2)S(=O)(=O)c2ccc3ccccc3c2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.67
HDAC4 P56524 16/20 0.67
HDAC1 Q13547 16/20 0.67
HDAC7 Q8WUI4 16/20 0.67
HDAC2 Q92769 16/20 0.67
HDAC10 Q969S8 16/20 0.67
HDAC11 Q96DB2 16/20 0.67
HDAC8 Q9BY41 16/20 0.67
HDAC6 Q9UBN7 16/20 0.67
HDAC9 Q9UKV0 16/20 0.67
HDAC5 Q9UQL6 16/20 0.67
CYP2D6 P10635 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
KCNH2 Q12809 1/20 0.51
MMP2 P08253 1/20 0.51
MMP13 P45452 1/20 0.51
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8248016 0.94 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011701 0.93 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012580 0.91 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8250698 0.88 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12723410 0.86 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8249261 0.85 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8248798 0.85 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8249188 0.85 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011535 0.84 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8251607 0.83 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 6 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
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
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.