SCHEMBL1306533

SCHEMBL1306533

O=C(NCc1cccs1)/C(=C/c1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ DAPK1 P53355 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ HPGD P15428 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ OGG1 O15527 1/20 0.39

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
SCHEMBL1306540 1.00 GAA (0.45) GAAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL1305802 0.91 GAA (0.47) GAAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL1306966 0.91 CYP1A2 (0.46) GAAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL1306967 0.91 CYP1A2 (0.46) GAAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL1305803 0.88 DHODH (0.43) GAAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL1308413 0.83 HPGD (0.56) GAAPOLBDAPK1PIM3HPGD
SCHEMBL1306900 0.83 P2RX3 (0.46) GAAPOLBCYP1A2CYP3A4CYP2C19
SCHEMBL1308418 0.83 HPGD (0.56) GAAPOLBDAPK1PIM3HPGD
SCHEMBL1306720 0.81 MAPT (0.53) POLBDAPK1PIM3HPGDKDM4E
SCHEMBL1306717 0.81 MAPT (0.53) POLBDAPK1PIM3HPGDKDM4E

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 6 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
CN-101573327-A Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RES INST CHEM TECH (KR) 2009-11-04 — — CN 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 688/4885POLB 626/4885CYP1A2 3942/4885

“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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