SCHEMBL1306614

SCHEMBL1306614

COc1ccc(CCNC(=O)C(=Cc2ccc(C(=O)NO)cc2)COc2cccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ PLAAT3 P53816 3/20 0.46
▸ PLAAT5 Q96KN8 3/20 0.46
▸ PLAAT2 Q9NWW9 3/20 0.46
▸ PLAAT4 Q9UL19 3/20 0.46
▸ HPGD P15428 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 3/20 0.45

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
SCHEMBL1306610 1.00 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1307057 0.92 HDAC1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1307060 0.92 HDAC1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1306787 0.91 PTPN1 (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306788 0.91 PTPN1 (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1307099 0.91 PTPN1 (0.48) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306132 0.91 P2RX3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1306130 0.91 P2RX3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1306677 0.87 P2RX3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1306672 0.87 P2RX3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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
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-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 HDAC3 2/4885HDAC4 6/4885HDAC1 1/4885

“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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