SCHEMBL1305681

SCHEMBL1305681

O=C(NCCCN1CCOCC1)C(=Cc1ccc(C(=O)NO)cc1)COc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ P2RX3 P56373 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HPGDS O60760 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1305680 1.00 MAPT (0.49) MAPTP2RX3ALDH1A1SMN1; SMN2TSHR
SCHEMBL1305638 0.92 MAPT (0.51) MAPTALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL1305640 0.92 MAPT (0.51) MAPTALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL1305476 0.90 MAPT (0.49) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL1305479 0.84 MAPT (0.47) MAPTSMN1; SMN2TSHRLMNAPOLB
SCHEMBL1305919 0.84 SMN1; SMN2 (0.46) P2RX3ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL1305922 0.84 SMN1; SMN2 (0.46) P2RX3ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL2891106 0.84 TDP1 (0.47) MAPTP2RX3SMN1; SMN2KDM4EPOLB
SCHEMBL2891102 0.84 TDP1 (0.47) MAPTP2RX3SMN1; SMN2KDM4EPOLB
SCHEMBL1306574 0.83 TDP1 (0.46) MAPTKDM4ETDP1

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 8 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
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 — — EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 — — WO 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 2919/4885P2RX3 4630/4885ALDH1A1 673/4885

“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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