SCHEMBL1307264

SCHEMBL1307264

O=C(CCCC/C=C(/CNCc1cccs1)COc1cccc2ccccc12)NOC1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.51
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ PREP P48147 2/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ OGG1 O15527 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33

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
SCHEMBL1307268 1.00 P2RX3 (0.51) P2RX3CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL3833477 0.88 P2RX3 (0.47) P2RX3CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL1308808 0.85 P2RX3 (0.54) P2RX3ALDH1A1PREPADAMTS4ADAMTS5
SCHEMBL1308805 0.85 P2RX3 (0.54) P2RX3ALDH1A1PREPADAMTS4ADAMTS5
SCHEMBL1308802 0.85 P2RX3 (0.54) P2RX3ALDH1A1PREPADAMTS4ADAMTS5
SCHEMBL1307396 0.84 P2RX3 (0.51) P2RX3ALDH1A1PREPADAMTS4ADAMTS5
SCHEMBL1307393 0.84 P2RX3 (0.51) P2RX3ALDH1A1PREPADAMTS4ADAMTS5
SCHEMBL1307398 0.84 P2RX3 (0.51) P2RX3ALDH1A1PREPADAMTS4ADAMTS5
SCHEMBL1307170 0.84 P2RX3 (0.50) P2RX3ALDH1A1PREPADAMTS4ADAMTS5
SCHEMBL1307177 0.84 P2RX3 (0.50) P2RX3ALDH1A1PREPADAMTS4ADAMTS5

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 P2RX3 4630/4885CYP1A2 3942/4885CYP3A4 3586/4885

“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.

Send feedback