SCHEMBL1063282

SCHEMBL1063282

Nc1cc(C#CCO)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
TSHR P16473 2/20 0.50
MAPT P10636 7/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
P2RY6 Q15077 1/20 0.43
MAPK1 P28482 2/20 0.43
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MCL1 Q07820 1/20 0.38
MELK Q14680 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL29199363 0.81 P2RY6 (0.43) TSHRMAPTALDH1A1P2RY6POLB
SCHEMBL5766321 0.81 TSHR (0.46) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL310853 0.79 ALDH1A1 (0.46) TDP1MAPTLMNAALDH1A1P2RY6
SCHEMBL18789074 0.79 TDP1 (0.59) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL17471721 0.78 TSHR (0.47) TSHRMAPTLMNAALDH1A1P2RY6
SCHEMBL1065521 0.78 TDP1 (0.53) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL18780686 0.77 MAPT (0.46) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL4520641 0.77 P2RY6 (0.40) TSHRMAPTLMNAALDH1A1P2RY6
SCHEMBL29217568 0.76 TDP1 (0.60) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL20982639 0.76 MAPT (0.47) 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 8 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-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-2005030705-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

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.