SCHEMBL1011646

SCHEMBL1011646

NC(=O)c1cnc(N2CC3=CN(Cc4ccc5ccccc5c4)CC3C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.49
HDAC4 P56524 9/20 0.49
HDAC1 Q13547 9/20 0.49
HDAC7 Q8WUI4 9/20 0.49
HDAC2 Q92769 9/20 0.49
HDAC10 Q969S8 9/20 0.49
HDAC11 Q96DB2 9/20 0.49
HDAC8 Q9BY41 9/20 0.49
HDAC6 Q9UBN7 9/20 0.49
HDAC9 Q9UKV0 9/20 0.49
HDAC5 Q9UQL6 9/20 0.49
CYP2D6 P10635 2/20 0.49
KCNH2 Q12809 1/20 0.49
CTRB1 P17538 1/20 0.38
MCHR1 Q99705 5/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP13 P45452 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL1011769 0.85 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012296 0.81 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012520 0.80 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011644 0.78 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011057 0.77 PARP1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011648 0.76 KMT2A (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012363 0.73 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011704 0.72 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011677 0.72 HDAC3 (0.80) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011959 0.71 HDAC3 (0.80) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP claimed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US claimed
EP-1881977-A1 HISTONE DEACETYLASE INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-30 EP claimed
WO-2006123121-A1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-23 WO claimed

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.