SCHEMBL4896115

SCHEMBL4896115

Nc1ccccc1NC(=O)CCc1ccc(I)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.60
HDAC3 O15379 14/20 0.60
HDAC2 Q92769 12/20 0.60
HDAC10 Q969S8 8/20 0.60
HDAC6 Q9UBN7 7/20 0.60
HDAC8 Q9BY41 7/20 0.60
HDAC4 P56524 7/20 0.60
HDAC7 Q8WUI4 6/20 0.60
HDAC11 Q96DB2 6/20 0.60
HDAC9 Q9UKV0 6/20 0.60
HDAC5 Q9UQL6 6/20 0.60
NCOR2 Q9Y618 6/20 0.60
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NCOR1 O75376 1/20 0.54
HCAR2 Q8TDS4 1/20 0.49

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
SCHEMBL4891951 0.92 HDAC3 (0.66) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL3812243 0.88 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL1521002 0.88 RAB9A (0.71) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL4895996 0.85 HDAC3 (0.58) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL3812238 0.84 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL8348849 0.81 HDAC1 (0.60) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL7789440 0.79 HDAC1 (0.79) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL21963302 0.78 LMNA (0.59) HDAC1HDAC3NPC1RAB9A
SCHEMBL674310 0.77 HDAC1 (0.75) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL2107762 0.77 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC10HDAC6

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-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
EP-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP disclosed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO 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-20080234254-A1 Inhibitors of Histone Deacetylase HDAC8, HDAC4, HDAC5 HDAC1 4/4885HDAC3 5/4885HDAC2 7/4885

“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.