SCHEMBL211848

SCHEMBL211848

CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccc([N+](=O)[O-])cc3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.56
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MCL1 Q07820 1/20 0.51
SCD O00767 2/20 0.50
LCK P06239 4/20 0.49
MMP13 P45452 2/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
DYRK1A Q13627 1/20 0.48
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
S1PR2 O95136 1/20 0.47
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL5584436 0.93 KMT2A (0.51) HDAC1NPC1RAB9AKMT2AMEN1
SCHEMBL210651 0.88 HDAC1 (0.64) HDAC1NPC1RAB9ASCDLCK
SCHEMBL2733780 0.88 HDAC1 (0.61) HDAC1NPC1RAB9ASCDLCK
SCHEMBL211650 0.88 HDAC1 (0.60) HDAC1SCDLCKDYRK1A
SCHEMBL211614 0.85 HDAC1 (0.74) HDAC1NPC1RAB9AMCL1SCD
SCHEMBL212264 0.83 HDAC1 (0.61) HDAC1SCDLCKMAPTSMN1; SMN2
SCHEMBL2733518 0.82 HDAC1 (0.58) HDAC1SCDLCKHTTDYRK1A
SCHEMBL210833 0.81 AURKB (0.60) HDAC1SCDLCKMAPTSMN1; SMN2
SCHEMBL3949427 0.79 DYRK1A (0.70) NPC1RAB9AMCL1SCDLCK
SCHEMBL30493298 0.79 DYRK1A (0.70) NPC1RAB9AMCL1SCDLCK

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885NPC1 1293/4885RAB9A 3036/4885

“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.