SCHEMBL1305152

SCHEMBL1305152

CN(C/C(=C/c1ccc(C(=O)NO)cc1)COc1cccc2ccccc12)c1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.49
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ OGG1 O15527 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC4 P56524 2/20 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
SCHEMBL1306899 0.90 CYP1A2 (0.42) P2RX3CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL1306965 0.84 CYP1A2 (0.45) P2RX3CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL5795711 0.81 P2RX3 (0.57) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1305164 0.80 P2RX3 (0.54) P2RX3CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL1305155 0.80 P2RX3 (0.54) P2RX3CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL3820610 0.79 P2RX3 (0.51) P2RX3CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL5807650 0.77 P2RX3 (0.48) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL5807646 0.77 P2RX3 (0.48) P2RX3ALDH1A1MAPTGAATSHR
SCHEMBL1306879 0.75 P2RX3 (0.57) P2RX3KMT2AALDH1A1MAPTGAA
SCHEMBL1306876 0.75 P2RX3 (0.57) P2RX3KMT2AALDH1A1MAPTGAA

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 6 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 claimed
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 claimed
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 claimed
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 4630/4885CYP1A2 3942/4885CYP3A4 3586/4885

“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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