SCHEMBL1307529

SCHEMBL1307529

O=C(NO)c1ccc(C=C(CNCc2ccc(OC(F)(F)F)cc2)COc2cccc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.53
▸ TRPV1 Q8NER1 2/20 0.44
▸ HDAC8 Q9BY41 5/20 0.42
▸ HDAC6 Q9UBN7 5/20 0.42
▸ HDAC3 O15379 4/20 0.42
▸ HDAC4 P56524 4/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC7 Q8WUI4 4/20 0.42
▸ HDAC2 Q92769 4/20 0.42
▸ HDAC9 Q9UKV0 4/20 0.42
▸ HDAC5 Q9UQL6 4/20 0.42
▸ HDAC10 Q969S8 3/20 0.42
▸ HDAC11 Q96DB2 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GCGR P47871 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ TCF7L2 Q9NQB0 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL1307526 1.00 P2RX3 (0.53) P2RX3TRPV1HDAC8HDAC6HDAC3
SCHEMBL1306287 0.92 P2RX3 (0.45) P2RX3TRPV1ALDH1A1MAPTGCGR
SCHEMBL1306289 0.92 P2RX3 (0.45) P2RX3TRPV1ALDH1A1MAPTGCGR
SCHEMBL1308976 0.84 P2RX3 (0.70) P2RX3TRPV1ALDH1A1GAAMAPT
SCHEMBL1308972 0.84 P2RX3 (0.70) P2RX3TRPV1ALDH1A1GAAMAPT
SCHEMBL1306842 0.81 P2RX3 (0.54) P2RX3HDAC8HDAC6HDAC3HDAC4
SCHEMBL1306835 0.81 P2RX3 (0.54) P2RX3HDAC8HDAC6HDAC3HDAC4
SCHEMBL1306838 0.81 P2RX3 (0.54) P2RX3HDAC8HDAC6HDAC3HDAC4
SCHEMBL1306462 0.79 P2RX3 (0.56) P2RX3HDAC8HDAC6HDAC3HDAC4
SCHEMBL1305155 0.79 P2RX3 (0.54) P2RX3HDAC8HDAC6HDAC3HDAC4

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 4630/4885TRPV1 3369/4885HDAC8 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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