SCHEMBL1306458

SCHEMBL1306458

O=C(CCCC/C=C(\COc1cccc2ccccc12)C(=O)NC1CCN(C2CCCC2)CC1)NOC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.48
▸ PREP P48147 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ ADAMTS4 O75173 1/20 0.36
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ OGG1 O15527 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ACKR3 P25106 1/20 0.33
▸ HPGD P15428 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1306464 1.00 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307282 0.99 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307287 0.99 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL17043184 0.95 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL17043181 0.95 P2RX3 (0.48) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307168 0.93 P2RX3 (0.55) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1307169 0.93 P2RX3 (0.55) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306725 0.92 P2RX3 (0.47) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306730 0.92 P2RX3 (0.47) P2RX3PREPALDH1A1ADAMTS4ADAMTS5
SCHEMBL1306391 0.91 P2RX3 (0.47) P2RX3PREPALDH1A1ADAMTS4ADAMTS5

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 3 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

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 4630/4885PREP 1557/4885ALDH1A1 673/4885

“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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