SCHEMBL1306966

SCHEMBL1306966

O=C(NCc1cccs1)/C(=C/c1ccc(C(=O)NO)cc1)COc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ P2RX3 P56373 2/20 0.45
▸ GAA P10253 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HPGD P15428 3/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 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
SCHEMBL1306967 1.00 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C19P2RX3GAA
SCHEMBL1306533 0.91 GAA (0.45) CYP1A2CYP3A4CYP2C19GAAPOLB
SCHEMBL1306540 0.91 GAA (0.45) CYP1A2CYP3A4CYP2C19GAAPOLB
SCHEMBL1305802 0.89 GAA (0.47) CYP1A2CYP3A4CYP2C19GAAPOLB
SCHEMBL1305155 0.84 P2RX3 (0.54) CYP1A2CYP3A4CYP2C19P2RX3GAA
SCHEMBL1305988 0.84 HPGD (0.59) CYP3A4CYP2C19P2RX3GAAPOLB
SCHEMBL1305983 0.84 HPGD (0.59) CYP3A4CYP2C19P2RX3GAAPOLB
SCHEMBL1305164 0.84 P2RX3 (0.54) CYP1A2CYP3A4CYP2C19P2RX3GAA
SCHEMBL1305803 0.83 DHODH (0.43) CYP1A2CYP3A4CYP2C19GAAPOLB
SCHEMBL1307057 0.82 HDAC1 (0.54) P2RX3HDAC6HDAC8RAB9AKMT2A

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 CYP1A2 3942/4885CYP3A4 3586/4885CYP2C19 4518/4885

“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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