SCHEMBL5281130

SCHEMBL5281130

COc1ccc(N2CCN(C(=O)CCCCCN)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HSD17B10 Q99714 2/20 0.58
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GFER P55789 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 4/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL1378043 0.85 HDAC1 (0.72) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL1374155 0.84 ALDH1A1 (0.59) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL5282924 0.83 GFER (0.59) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL8325536 0.82 MAPT (0.68) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL9987782 0.81 MAPT (0.67) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL6037916 0.80 GFER (0.55) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL12182367 0.79 L3MBTL1 (0.68) MAPTMEN1KMT2AHSD17B10MAPK1
SCHEMBL6038084 0.79 GFER (0.58) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL945994 0.78 L3MBTL1 (0.66) MAPTMEN1KMT2AHSD17B10MAPK1
SCHEMBL17260630 0.78 MAPT (0.67) MAPTMEN1KMT2AHSD17B10MAPK1

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-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 WO disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 MAPT 3848/4885MEN1 2348/4885KMT2A 30/4885

“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.