SCHEMBL1011958

SCHEMBL1011958

CN(CC1C2CN(c3ncc(C(N)=O)cn3)CC12)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.48
HDAC4 P56524 17/20 0.48
HDAC1 Q13547 17/20 0.48
HDAC7 Q8WUI4 17/20 0.48
HDAC2 Q92769 17/20 0.48
HDAC10 Q969S8 17/20 0.48
HDAC11 Q96DB2 17/20 0.48
HDAC8 Q9BY41 17/20 0.48
HDAC6 Q9UBN7 17/20 0.48
HDAC9 Q9UKV0 17/20 0.48
HDAC5 Q9UQL6 17/20 0.48
CYP2D6 P10635 2/20 0.44
KCNH2 Q12809 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
JAK2 O60674 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL1011959 0.76 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011704 0.76 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011909 0.75 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011964 0.74 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012239 0.74 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011677 0.73 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012460 0.73 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1014343 0.73 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011644 0.73 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011703 0.72 HDAC3 (0.56) 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.