SCHEMBL1068671

SCHEMBL1068671

Nc1cc(-c2cnn[nH]2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 4/20 0.47
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 1/20 0.37
GALR3 O60755 1/20 0.36
THRB P10828 1/20 0.36
GPR35 Q9HC97 1/20 0.34

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
SCHEMBL22353104 0.80 AR (0.46) MAPTNPSR1TSHRMEN1POLB
SCHEMBL21145379 0.78 MAPT (0.50) MAPTNPSR1TDP1TSHRMEN1
SCHEMBL3973537 0.77 MAPT (0.69) MAPTTDP1TSHRMEN1POLB
SCHEMBL17673929 0.74 MAPT (0.56) MAPTNPSR1TDP1MEN1POLB
SCHEMBL1068602 0.73 TDP1 (0.47) MAPTNPSR1TDP1TSHRMEN1
SCHEMBL4578254 0.73 TDP1 (0.50) MAPTNPSR1TDP1TSHRMEN1
SCHEMBL8292811 0.71 XDH (0.59) MAPTNPSR1TDP1TSHRMEN1
SCHEMBL13735401 0.70 MAPT (0.55) MAPTNPSR1TDP1TSHRMEN1
SCHEMBL28812909 0.70 BRD4 (0.57) MAPTNPSR1TDP1TSHRMEN1
SCHEMBL10714696 0.69 TDP1 (0.63) MAPTTDP1TSHRMEN1POLB

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 10 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-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
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030705-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 MAPT 2110/4885NPSR1 4455/4885TDP1 926/4885

“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.