SCHEMBL1307411

SCHEMBL1307411

O=C(NOC1CCCCO1)c1ccc(C=C(CNC2CCN(C3CCCCC3)C2)COc2cccc3ccccc23)cc1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.83
▸ SLC6A5 Q9Y345 3/20 0.37
▸ TGFBR1 P36897 1/20 0.35
▸ PREP P48147 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SIGMAR1 Q99720 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ DAPK1 P53355 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 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
SCHEMBL1307408 1.00 P2RX3 (0.83) P2RX3SLC6A5TGFBR1PREPHRH3
SCHEMBL1307406 1.00 P2RX3 (0.83) P2RX3SLC6A5TGFBR1PREPHRH3
SCHEMBL1307847 0.98 P2RX3 (0.81) P2RX3SLC6A5TGFBR1PREPHRH3
SCHEMBL1307841 0.98 P2RX3 (0.81) P2RX3SLC6A5TGFBR1PREPHRH3
SCHEMBL1307845 0.98 P2RX3 (0.81) P2RX3SLC6A5TGFBR1PREPHRH3
SCHEMBL1306409 0.95 P2RX3 (0.86) P2RX3SLC6A5TGFBR1PREPMEN1
SCHEMBL1306408 0.95 P2RX3 (0.86) P2RX3SLC6A5TGFBR1PREPMEN1
SCHEMBL1306410 0.95 P2RX3 (0.86) P2RX3SLC6A5TGFBR1PREPMEN1
SCHEMBL1307556 0.94 P2RX3 (0.86) P2RX3TGFBR1PREPMEN1KMT2A
SCHEMBL1307558 0.94 P2RX3 (0.86) 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 4630/4885SLC6A5 4831/4885TGFBR1 1626/4885

“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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