SCHEMBL1325288

SCHEMBL1325288

CC(C)(C)OC(=O)N(CCCn1ccnc1)C/C(=C/c1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.57
▸ CASP1 P29466 1/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ NAMPT P43490 6/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ BRD4 O60885 1/20 0.31

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
SCHEMBL1307191 0.87 P2RX3 (0.66) P2RX3TGFBR1KMT2AALDH1A1KDM4E
SCHEMBL1305459 0.85 P2RX3 (0.60) P2RX3TGFBR1
SCHEMBL1306374 0.85 FNTA (0.40) CASP1NAMPTKMT2AL3MBTL1LMNA
SCHEMBL1306377 0.85 FNTA (0.40) CASP1NAMPTKMT2AL3MBTL1LMNA
SCHEMBL1306380 0.85 FNTA (0.40) CASP1NAMPTKMT2AL3MBTL1LMNA
SCHEMBL1307315 0.83 P2RX3 (0.66) P2RX3TGFBR1KMT2AALDH1A1
SCHEMBL1305720 0.82 P2RX3 (0.70) P2RX3TGFBR1KMT2ALMNAALDH1A1
SCHEMBL1325290 0.82 P2RX3 (0.60) P2RX3TGFBR1KMT2AALDH1A1
SCHEMBL1307305 0.82 P2RX3 (0.62) P2RX3TGFBR1KMT2AALDH1A1KDM4E
SCHEMBL1306401 0.81 P2RX3 (0.58) P2RX3NAMPTKMT2AL3MBTL1LMNA

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 4630/4885CASP1 2439/4885TGFBR1 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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