SCHEMBL2979537

SCHEMBL2979537

O=C(NO)c1cnc(N2CCc3[nH]c4ccc([N+](=O)[O-])cc4c3C2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 7/20 0.58
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GFER P55789 1/20 0.49
HDAC1 Q13547 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC8 Q9BY41 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA2 P47869 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2975501 0.89 BAZ2B (0.59) BAZ2BMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2979006 0.86 BAZ2B (0.55) BAZ2BMAPTHDAC1HDAC6HDAC8
SCHEMBL2965905 0.85 HDAC1 (0.65) BAZ2BMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2963961 0.85 BAZ2B (0.54) BAZ2BMAPTMEN1KMT2AHDAC1
SCHEMBL2978179 0.85 HDAC1 (0.65) BAZ2BMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2980392 0.85 BAZ2B (0.54) BAZ2BMAPTSMN1; SMN2HDAC1HDAC6
SCHEMBL2981233 0.83 HDAC6 (0.51) BAZ2BMAPTHDAC1HDAC6HDAC8
SCHEMBL2970427 0.83 HDAC1 (0.48) HDAC1HDAC6HDAC8POLBGAA
SCHEMBL2980640 0.83 HDAC1 (0.52) BAZ2BHDAC1HDAC6HDAC8POLB
SCHEMBL2978845 0.83 HDAC1 (0.52) BAZ2BHDAC1HDAC6HDAC8POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US claimed
JP-2008530136-A 2008-08-07 JP claimed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP claimed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US claimed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO claimed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 BAZ2B 33/4885MAPT 2758/4885MEN1 3925/4885

“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.