SCHEMBL1307558

SCHEMBL1307558

O=C(NOC1CCCCO1)c1ccc(/C=C(\CNC2CCN(C3CC3)CC2)COc2cccc3ccccc23)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.86
▸ TGFBR1 P36897 1/20 0.36
▸ PREP P48147 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ DAPK1 P53355 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ ADAMTS4 O75173 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ OGG1 O15527 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GSTP1 P09211 1/20 0.32
▸ GSTM2 P28161 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 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
SCHEMBL1307559 1.00 P2RX3 (0.86) P2RX3TGFBR1PREPMEN1KMT2A
SCHEMBL1307556 1.00 P2RX3 (0.86) P2RX3TGFBR1PREPMEN1KMT2A
SCHEMBL1306408 0.99 P2RX3 (0.86) P2RX3TGFBR1PREPMEN1KMT2A
SCHEMBL1306410 0.99 P2RX3 (0.86) P2RX3TGFBR1PREPMEN1KMT2A
SCHEMBL1306409 0.99 P2RX3 (0.86) P2RX3TGFBR1PREPMEN1KMT2A
SCHEMBL1307841 0.96 P2RX3 (0.81) P2RX3TGFBR1PREPMEN1KMT2A
SCHEMBL1307845 0.96 P2RX3 (0.81) P2RX3TGFBR1PREPMEN1KMT2A
SCHEMBL1307847 0.96 P2RX3 (0.81) P2RX3TGFBR1PREPMEN1KMT2A
SCHEMBL1307408 0.94 P2RX3 (0.83) P2RX3TGFBR1PREPMEN1KMT2A
SCHEMBL1307411 0.94 P2RX3 (0.83) P2RX3TGFBR1PREPMEN1KMT2A

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 4630/4885TGFBR1 1626/4885PREP 1557/4885

“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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