SCHEMBL8293265

SCHEMBL8293265

COc1ccc(C(=O)Nc2cc(-c3csc(NC(=O)OC(C)(C)C)n3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
RAB9A P51151 3/20 0.53
ADORA3 P0DMS8 2/20 0.52
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 7/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
SMN1; SMN2 Q16637 7/20 0.46
LMNA P02545 4/20 0.46
F2 P00734 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
ALK Q9UM73 1/20 0.44
GSTO1 P78417 1/20 0.44
RECQL P46063 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
SCHEMBL1068485 0.89 ADORA3 (0.59) KDM4ERAB9AADORA3ALDH1A1MAPK1
SCHEMBL1068478 0.89 ADORA3 (0.59) KDM4ERAB9AADORA3ALDH1A1MAPK1
SCHEMBL8293266 0.86 HDAC2 (0.57) KDM4ERAB9AADORA3ALDH1A1MAPK1
SCHEMBL8293262 0.80 HDAC3 (0.49) RAB9AALDH1A1MAPK1MAPTMEN1
SCHEMBL18424682 0.78 KDM4E (0.63) KDM4ERAB9AADORA3ALDH1A1MAPK1
SCHEMBL1130860 0.74 SMN1; SMN2 (0.66) RAB9AALDH1A1MAPK1MAPTMEN1
SCHEMBL1067325 0.74 ADORA3 (0.64) KDM4ERAB9AADORA3ALDH1A1MAPK1
SCHEMBL1066697 0.73 ABCB1 (0.60) KDM4ERAB9AALDH1A1MAPK1NPSR1
SCHEMBL1067526 0.72 MAPT (0.49) KDM4ERAB9AALDH1A1MAPK1MAPT
SCHEMBL1065860 0.72 HDAC3 (0.44) KDM4ERAB9AALDH1A1MAPK1NPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 KDM4E 123/4885RAB9A 2909/4885ADORA3 4373/4885

“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.