SCHEMBL1306401

SCHEMBL1306401

O=C(NCCCn1ccnc1)/C(=C/c1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.58
▸ L3MBTL1 Q9Y468 6/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ PKM P14618 2/20 0.40
▸ NAMPT P43490 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL1306404 1.00 P2RX3 (0.58) P2RX3L3MBTL1LMNAKMT2AALDH1A1
SCHEMBL17043074 0.88 P2RX3 (0.62) P2RX3L3MBTL1KDM4E
SCHEMBL17043078 0.88 P2RX3 (0.62) P2RX3L3MBTL1KDM4E
SCHEMBL1306516 0.85 P2RX3 (0.63) P2RX3LMNAKMT2AALDH1A1KDM4E
SCHEMBL1306515 0.85 P2RX3 (0.63) P2RX3LMNAKMT2AALDH1A1KDM4E
SCHEMBL3815479 0.85 P2RX3 (0.58) P2RX3L3MBTL1LMNAKMT2AALDH1A1
SCHEMBL1306254 0.85 P2RX3 (0.60) P2RX3L3MBTL1LMNAALDH1A1KDM4E
SCHEMBL17043163 0.85 P2RX3 (0.58) P2RX3L3MBTL1LMNAKMT2AALDH1A1
SCHEMBL1306250 0.85 P2RX3 (0.60) P2RX3L3MBTL1LMNAALDH1A1KDM4E
SCHEMBL1307152 0.85 P2RX3 (0.43) P2RX3L3MBTL1LMNAALDH1A1KDM4E

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 4630/4885L3MBTL1 3080/4885LMNA 1637/4885

“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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