SCHEMBL1307363

SCHEMBL1307363

COc1ccc(CCNC(=O)C(=Cc2ccc(C(=O)NOC3CCCCO3)cc2)COc2cccc3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.60
▸ PTPN1 P18031 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ GAA P10253 3/20 0.37
▸ PLAAT3 P53816 1/20 0.36
▸ PLAAT5 Q96KN8 1/20 0.36
▸ PLAAT2 Q9NWW9 1/20 0.36
▸ PLAAT4 Q9UL19 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL1307360 1.00 P2RX3 (0.60) P2RX3PTPN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1306386 0.94 P2RX3 (0.63) P2RX3ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL1306388 0.94 P2RX3 (0.63) P2RX3ALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL1308688 0.92 P2RX3 (0.63) P2RX3ALDH1A1MAPTHPGDGAA
SCHEMBL1308691 0.92 P2RX3 (0.63) P2RX3ALDH1A1MAPTHPGDGAA
SCHEMBL1307199 0.90 P2RX3 (0.66) P2RX3ALDH1A1MAPTKDM4EHPGD
SCHEMBL1307203 0.90 P2RX3 (0.66) P2RX3ALDH1A1MAPTKDM4EHPGD
SCHEMBL1308000 0.86 P2RX3 (0.62) P2RX3ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL1306516 0.86 P2RX3 (0.63) P2RX3ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL1306515 0.86 P2RX3 (0.63) P2RX3ALDH1A1SMN1; SMN2MAPTKDM4E

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 4630/4885PTPN1 2544/4885ALDH1A1 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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