SCHEMBL4886592

SCHEMBL4886592

CC(C)=C(CN1CCc2ccccc2C1)c1ccc(C(=O)Nc2ccccc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 3/20 0.56
HDAC1 Q13547 3/20 0.55
HDAC2 Q92769 2/20 0.55
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ABCB1 P08183 2/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
KDM4E B2RXH2 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 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
SCHEMBL4897800 0.86 HDAC1 (0.57) SMN1; SMN2L3MBTL1LMNAHTTHDAC1
SCHEMBL24890971 0.73 HDAC2 (0.58) SMN1; SMN2L3MBTL1LMNAHTTHDAC1
SCHEMBL8268262 0.73 ABCB1 (0.58) SMN1; SMN2L3MBTL1LMNAHTTHDAC1
SCHEMBL1064790 0.72 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8269800 0.72 HDAC1 (0.50) L3MBTL1HDAC1HDAC2ABCB1ABCG2
SCHEMBL4261230 0.72 HDAC2 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4261233 0.72 HDAC2 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8401704 0.71 HDAC1 (0.89) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL5159210 0.70 SMN1; SMN2 (0.72) SMN1; SMN2LMNAMEN1KMT2AABCB1
SCHEMBL12226492 0.70 MEN1 (0.61) L3MBTL1HDAC1MEN1KMT2AKDM4E

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 6 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
US-20080234254-A1 Inhibitors of Histone Deacetylase UNIVERSITY OF LEEDS (GB) 2008-09-25 US disclosed
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
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 SMN1; SMN2 4631/4885L3MBTL1 1355/4885LMNA 883/4885

“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.