SCHEMBL1306310

SCHEMBL1306310

NCC(=O)CN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ALDH1A1 P00352 7/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.37
RAD52 P43351 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16935758 0.98 GAA (0.52) GAAALDH1A1MAPTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL12501509 0.98 GAA (0.46) GAAALDH1A1MAPTPOLBL3MBTL1
SCHEMBL21613455 0.95
Trifluoroacetic Acid SCHEMBL28918774 0.86 CHRM2 (0.39) GAAALDH1A1MAPTPOLBL3MBTL1
SCHEMBL17092622 0.84 GAA (0.56) GAAALDH1A1MAPTPOLBL3MBTL1
SCHEMBL142180 0.81 GAA (0.61) GAAALDH1A1MAPTPOLBL3MBTL1
SCHEMBL10892602 0.81 GAA (0.54) GAAALDH1A1MAPTPOLBL3MBTL1
Hydrochloric Acid SCHEMBL11699100 0.79 GAA (0.58) GAAALDH1A1MAPTPOLBL3MBTL1
SCHEMBL4367538 0.77 GAA (0.50) GAAALDH1A1MAPTPOLBL3MBTL1
SCHEMBL4367541 0.77 GAA (0.50) GAAALDH1A1MAPTPOLBL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 US disclosed
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 GAA 688/4885ALDH1A1 673/4885MAPT 2919/4885

“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.