SCHEMBL1305164

SCHEMBL1305164

O=C(NO)c1ccc(C=C(CNCc2cccs2)COc2cccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.54
▸ HDAC6 Q9UBN7 4/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ GAA P10253 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ OGG1 O15527 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 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
SCHEMBL1305155 1.00 P2RX3 (0.54) P2RX3HDAC6HDAC8CYP1A2CYP3A4
SCHEMBL1306900 0.91 P2RX3 (0.46) P2RX3CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL1306967 0.84 CYP1A2 (0.46) P2RX3HDAC6HDAC8CYP1A2CYP3A4
SCHEMBL1306966 0.84 CYP1A2 (0.46) P2RX3HDAC6HDAC8CYP1A2CYP3A4
SCHEMBL1306876 0.81 P2RX3 (0.57) P2RX3HDAC6HDAC8ALDH1A1HPGD
SCHEMBL1306879 0.81 P2RX3 (0.57) P2RX3HDAC6HDAC8ALDH1A1HPGD
SCHEMBL1306873 0.81 P2RX3 (0.57) P2RX3HDAC6HDAC8ALDH1A1HPGD
SCHEMBL5799284 0.80 P2RX3 (0.57) P2RX3HDAC6HDAC8ALDH1A1HPGD
SCHEMBL1305152 0.80 P2RX3 (0.49) P2RX3HDAC6HDAC8CYP1A2CYP3A4
SCHEMBL1307529 0.79 P2RX3 (0.53) P2RX3HDAC6HDAC8ALDH1A1HPGD

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 4630/4885HDAC6 10/4885HDAC8 11/4885

“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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