SCHEMBL1305730

SCHEMBL1305730

CN(C)c1ccc(CN(C/C(=C\c2ccc(C(=O)O)cc2)COc2cccc3ccccc23)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ P2RX3 P56373 2/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ DAPK1 P53355 1/20 0.35

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
SCHEMBL1305732 1.00 MAPT (0.39) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL1306931 0.86 P2RX3 (0.39) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL1306759 0.86 P2RX3 (0.39) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL1306757 0.86 P2RX3 (0.39) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL1306418 0.84 MAPT (0.41) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL1306736 0.84 TRPM8 (0.39) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL1306412 0.84 MAPT (0.41) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL1306741 0.84 TRPM8 (0.39) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL1306415 0.84 MAPT (0.41) MAPTMEN1KMT2APOLBMAPK1
SCHEMBL1306740 0.84 TRPM8 (0.39) MAPTMEN1KMT2APOLBMAPK1

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 MAPT 2919/4885MEN1 4379/4885KMT2A 111/4885

“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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