SCHEMBL211614

SCHEMBL211614

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

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.74
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MCL1 Q07820 1/20 0.56
HDAC2 Q92769 4/20 0.53
MMP13 P45452 2/20 0.53
SCD O00767 1/20 0.53
HDAC3 O15379 2/20 0.53
HDAC8 Q9BY41 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
NCOR2 Q9Y618 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL214421 0.89 HDAC1 (0.82) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL210213 0.86 HDAC1 (0.81) HDAC1HDAC2SCDHDAC3HDAC8
SCHEMBL2733826 0.85 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL211848 0.85 HDAC1 (0.56) HDAC1NPC1RAB9AMCL1MMP13
SCHEMBL4972632 0.85 HDAC1 (0.78) HDAC1NPC1RAB9AHDAC2HDAC3
SCHEMBL5793017 0.84 NPC1 (0.58) HDAC1NPC1RAB9AMCL1MMP13
SCHEMBL213443 0.83 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC8NCOR2
SCHEMBL1064488 0.83 HDAC1 (1.00) HDAC1NPC1RAB9ASCD
SCHEMBL5001543 0.80 RIPK1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL211854 0.80 HDAC1 (0.78) HDAC1HDAC2SCDHDAC3HDAC8

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-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
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (2 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
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885NPC1 1178/4885RAB9A 3239/4885

“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.