SCHEMBL1306379

SCHEMBL1306379

O=C(O)CCCCC=C(COc1cccc2ccccc12)C(=O)NCCCn1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ PKM P14618 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ QPCT Q16769 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TBXAS1 P24557 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TERT O14746 1/20 0.41

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
SCHEMBL1306376 1.00 KDM4E (0.50) KDM4EL3MBTL1ALDH1A1PKMSMN1; SMN2
SCHEMBL1305250 0.92 L3MBTL1 (0.50) KDM4EL3MBTL1ALDH1A1PKMSMN1; SMN2
SCHEMBL29488478 0.92 L3MBTL1 (0.50) KDM4EL3MBTL1ALDH1A1PKMSMN1; SMN2
SCHEMBL1306262 0.92 ALDH1A1 (0.52) KDM4EL3MBTL1ALDH1A1PKMSMN1; SMN2
SCHEMBL1305248 0.92 L3MBTL1 (0.50) KDM4EL3MBTL1ALDH1A1PKMSMN1; SMN2
SCHEMBL1306260 0.92 ALDH1A1 (0.52) KDM4EL3MBTL1ALDH1A1PKMSMN1; SMN2
SCHEMBL1306264 0.87 ALDH1A1 (0.49) KDM4EL3MBTL1ALDH1A1PKMSMN1; SMN2
SCHEMBL1306865 0.86 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1PKMSMN1; SMN2
SCHEMBL1306867 0.86 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1PKMSMN1; SMN2
SCHEMBL1306863 0.86 KDM4E (0.47) KDM4EL3MBTL1ALDH1A1PKMSMN1; SMN2

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 KDM4E 125/4885L3MBTL1 3080/4885ALDH1A1 673/4885

“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.

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