SCHEMBL8291368

SCHEMBL8291368

Nc1cc(-c2ccc(CO)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
TDP1 Q9NUW8 5/20 0.51
POLB P06746 2/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.44
ALOX15 P16050 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TTR P02766 1/20 0.37

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
SCHEMBL572190 0.86 TDP1 (0.58) MAPTTDP1POLBTSHRMEN1
SCHEMBL3973537 0.84 MAPT (0.69) MAPTTDP1POLBTSHRMEN1
SCHEMBL20788508 0.81 MAPT (0.56) MAPTTDP1POLBTSHRMEN1
SCHEMBL10714696 0.80 TDP1 (0.63) MAPTTDP1POLBTSHRMEN1
SCHEMBL31570099 0.80 MAPT (0.58) MAPTTDP1POLBTSHRMEN1
SCHEMBL720554 0.80 MAPT (0.58) MAPTTDP1POLBTSHRMEN1
SCHEMBL8587439 0.78 MAPT (0.56) MAPTTDP1POLBTSHRMEN1
SCHEMBL13735059 0.78 MAPT (0.56) MAPTTDP1POLBTSHRMEN1
SCHEMBL13735401 0.77 MAPT (0.55) MAPTTDP1POLBTSHRMEN1
SCHEMBL4588943 0.76 TDP1 (0.58) MAPTTDP1POLBTSHRMEN1

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 3 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
WO-2005030704-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 2110/4885TDP1 926/4885POLB 488/4885

“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.