SCHEMBL1306132

SCHEMBL1306132

O=C(NCCc1ccc(F)cc1)C(=Cc1ccc(C(=O)NO)cc1)COc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.46
▸ HDAC8 Q9BY41 5/20 0.45
▸ HDAC6 Q9UBN7 5/20 0.45
▸ HDAC2 Q92769 4/20 0.45
▸ HDAC1 Q13547 4/20 0.45
▸ HDAC11 Q96DB2 4/20 0.45
▸ HDAC3 O15379 3/20 0.45
▸ HDAC4 P56524 3/20 0.45
▸ HDAC7 Q8WUI4 3/20 0.45
▸ HDAC10 Q969S8 3/20 0.45
▸ HDAC9 Q9UKV0 3/20 0.45
▸ HDAC5 Q9UQL6 3/20 0.45
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL1306130 1.00 P2RX3 (0.46) P2RX3HDAC8HDAC6HDAC2HDAC1
SCHEMBL1307912 0.91 LMNA (0.51) P2RX3GAAALDH1A1MAPTNPC1
SCHEMBL1307916 0.91 LMNA (0.51) P2RX3GAAALDH1A1MAPTNPC1
SCHEMBL1306610 0.91 HDAC3 (0.47) P2RX3HDAC8HDAC6HDAC2HDAC1
SCHEMBL1306614 0.91 HDAC3 (0.47) P2RX3HDAC8HDAC6HDAC2HDAC1
SCHEMBL1307207 0.89 LMNA (0.43) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL1306672 0.85 P2RX3 (0.47) P2RX3HDAC8HDAC6HDAC2HDAC1
SCHEMBL1306677 0.85 P2RX3 (0.47) P2RX3HDAC8HDAC6HDAC2HDAC1
SCHEMBL1305163 0.84 TDP1 (0.49) P2RX3ALDH1A1NPC1RAB9ALMNA
SCHEMBL1307208 0.83 TRPM4 (0.41) ALDH1A1MAPTLMNAHTTHPGD

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 4630/4885HDAC8 11/4885HDAC6 10/4885

“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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