SCHEMBL1306758

SCHEMBL1306758

O=C(NO)c1ccc(C=C(CNCCCn2ccnc2)COc2cccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ QPCT Q16769 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL1306751 1.00 P2RX3 (0.51) P2RX3L3MBTL1KDM4EALDH1A1PKM
SCHEMBL1306755 1.00 P2RX3 (0.51) P2RX3L3MBTL1KDM4EALDH1A1PKM
SCHEMBL1307064 0.92 L3MBTL1 (0.46) P2RX3L3MBTL1KDM4EALDH1A1PKM
SCHEMBL1307062 0.92 L3MBTL1 (0.46) P2RX3L3MBTL1KDM4EALDH1A1PKM
SCHEMBL1306230 0.86 L3MBTL1 (0.51) L3MBTL1KDM4EALDH1A1PKMLMNA
SCHEMBL1306227 0.86 L3MBTL1 (0.51) L3MBTL1KDM4EALDH1A1PKMLMNA
SCHEMBL1306640 0.82 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1PKMLMNA
SCHEMBL1306643 0.82 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1PKMLMNA
SCHEMBL1306647 0.82 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1PKMLMNA
SCHEMBL1306876 0.80 P2RX3 (0.57) P2RX3KDM4EALDH1A1KMT2AGAA

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 10 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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 P2RX3 4630/4885L3MBTL1 3080/4885KDM4E 125/4885

“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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