SCHEMBL1068602

SCHEMBL1068602

Nc1cc(-c2nnn[nH]2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 10/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
GALR3 O60755 1/20 0.36
THRB P10828 1/20 0.36
DHFR P00374 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
SCHEMBL5311953 0.88 MAPT (0.60) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL23327052 0.82 MEN1 (0.44) TSHRMAPTMEN1KMT2APOLB
SCHEMBL30750463 0.82 TDP1 (0.47) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL27176841 0.82 TDP1 (0.47) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL31587453 0.79 ALDH1A1 (0.46) TDP1MAPTMEN1KMT2APOLB
SCHEMBL4100802 0.79 MAPT (0.50) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL23850830 0.79 ALDH1A1 (0.46) TDP1MAPTMEN1KMT2APOLB
SCHEMBL3973537 0.77 MAPT (0.69) TDP1TSHRMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL16176998 0.76 TDP1 (0.46) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL264644 0.74 XDH (0.51) TDP1MAPTMEN1KMT2APOLB

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-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
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-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 TDP1 926/4885TSHR 3869/4885MAPT 2110/4885

“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.