SCHEMBL1011959

SCHEMBL1011959

NC(=O)c1cnc(N2CC3C(CNCc4ccc5ccccc5c4)C3C2)nc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 19/20 0.80
HDAC4 P56524 19/20 0.80
HDAC1 Q13547 19/20 0.80
HDAC7 Q8WUI4 19/20 0.80
HDAC2 Q92769 19/20 0.80
HDAC10 Q969S8 19/20 0.80
HDAC11 Q96DB2 19/20 0.80
HDAC8 Q9BY41 19/20 0.80
HDAC6 Q9UBN7 19/20 0.80
HDAC9 Q9UKV0 19/20 0.80
HDAC5 Q9UQL6 19/20 0.80
CYP2D6 P10635 3/20 0.53
KCNH2 Q12809 1/20 0.53
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
NPY5R Q15761 1/20 0.40

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
SCHEMBL1011416 0.91 HDAC3 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8251729 0.89 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1010542 0.87 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1013678 0.86 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011677 0.86 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012339 0.83 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011870 0.83 HDAC1 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011941 0.81 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011704 0.80 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011644 0.79 HDAC3 (0.77) 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 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 6/4885HDAC4 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.