SCHEMBL4897800

SCHEMBL4897800

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.57
HDAC2 Q92769 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
ABCB1 P08183 2/20 0.53
ABCG2 Q9UNQ0 2/20 0.53
HDAC3 O15379 4/20 0.52
HDAC4 P56524 3/20 0.52
HDAC7 Q8WUI4 3/20 0.52
HDAC10 Q969S8 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC9 Q9UKV0 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL4886592 0.86 SMN1; SMN2 (0.56) HDAC1HDAC2SMN1; SMN2L3MBTL1LMNA
SCHEMBL8268262 0.86 ABCB1 (0.58) HDAC1HDAC2SMN1; SMN2L3MBTL1LMNA
SCHEMBL8269800 0.85 HDAC1 (0.50) HDAC1HDAC2L3MBTL1ABCB1ABCG2
SCHEMBL5159210 0.84 SMN1; SMN2 (0.72) SMN1; SMN2LMNAABCB1ABCG2KDM4E
SCHEMBL5159216 0.83 SMN1; SMN2 (0.67) SMN1; SMN2LMNAABCB1ABCG2KDM4E
SCHEMBL5162557 0.82 MEN1 (0.58) SMN1; SMN2LMNAABCB1ABCG2KDM4E
SCHEMBL4896072 0.81 HDAC1 (0.68) HDAC1HDAC2SMN1; SMN2HDAC3HDAC4
SCHEMBL4897412 0.79 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL14066526 0.79 HDAC1 (0.71) HDAC1HDAC2SMN1; SMN2HDAC3HDAC4
SCHEMBL4895567 0.76 ALDH1A1 (0.58) HDAC1HDAC2SMN1; SMN2L3MBTL1HDAC3

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 9 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 claimed
EP-1758847-A1 INHIBITORS OF HISTONE DEACETYLASE Cancer Research Technology Limited (GB) 2007-03-07 EP claimed
WO-2005121073-A1 INHIBITORS OF HISTONE DEACETYLASE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-12-22 WO claimed
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 HDAC1 4/4885HDAC2 7/4885SMN1; SMN2 4631/4885

“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.