SCHEMBL1068702

SCHEMBL1068702

Nc1cc(CCCO)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
TSHR P16473 2/20 0.51
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.44
CA2 P00918 4/20 0.44
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 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
SCHEMBL10608532 0.85 TSHR (0.46) TSHRMAPTALDH1A1CA2POLB
SCHEMBL11490171 0.84 MAPT (0.54) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL23077767 0.83 MAPK1 (0.48) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL572190 0.83 TDP1 (0.58) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL9820329 0.81 TDP1 (0.61) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL28127450 0.80 TDP1 (0.55) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL11494839 0.80 MAPT (0.56) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL10608735 0.80 CA2 (0.45) TSHRMAPTALDH1A1CA2POLB
SCHEMBL9316883 0.79 TDP1 (0.62) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL692126 0.79 TDP1 (0.46) TDP1TSHRMAPTLMNAALDH1A1

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-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
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 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.