SCHEMBL1011603

SCHEMBL1011603

Cn1cc(CC(=O)NC2C3CN(c4ncc(C(N)=O)cn4)CC32)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.51
HDAC1 Q13547 6/20 0.51
HDAC2 Q92769 6/20 0.51
HDAC8 Q9BY41 6/20 0.51
HDAC6 Q9UBN7 4/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
NCOR2 Q9Y618 2/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL8251575 0.90 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12932190 0.82 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12932193 0.80 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12961993 0.80 HDAC3 (0.67) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12932184 0.76 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1014456 0.76 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12961850 0.75 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1012604 0.73 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12932202 0.73 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12932183 0.73 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6

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 6/4885HDAC1 1/4885HDAC2 2/4885

“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.