SCHEMBL1014456

SCHEMBL1014456

NC(=O)c1cnc(N2CC3C(C2)C3NC(=O)Cc2ccc(-c3ccccc3)cc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.60
HDAC4 P56524 16/20 0.60
HDAC1 Q13547 16/20 0.60
HDAC7 Q8WUI4 16/20 0.60
HDAC2 Q92769 16/20 0.60
HDAC10 Q969S8 16/20 0.60
HDAC11 Q96DB2 16/20 0.60
HDAC8 Q9BY41 16/20 0.60
HDAC6 Q9UBN7 16/20 0.60
HDAC9 Q9UKV0 16/20 0.60
HDAC5 Q9UQL6 16/20 0.60
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
USP30 Q70CQ3 2/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL8250425 0.88 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012598 0.87 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011039 0.81 HDAC6 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011049 0.80 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012604 0.80 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011834 0.80 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011662 0.80 HDAC3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011818 0.80 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012312 0.79 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011949 0.78 CDK1 (0.43) 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.