SCHEMBL1308000

SCHEMBL1308000

O=C(NCCC1=CCCCC1)C(=Cc1ccc(C(=O)NOC2CCCCO2)cc1)COc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.62
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL1308691 0.88 P2RX3 (0.63) P2RX3ALDH1A1RAB9AHPGDLMNA
SCHEMBL1308688 0.88 P2RX3 (0.63) P2RX3ALDH1A1RAB9AHPGDLMNA
SCHEMBL1307203 0.87 P2RX3 (0.66) P2RX3ALDH1A1KDM4EHPGDLMNA
SCHEMBL1307199 0.87 P2RX3 (0.66) P2RX3ALDH1A1KDM4EHPGDLMNA
SCHEMBL1307363 0.86 P2RX3 (0.60) P2RX3ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1307360 0.86 P2RX3 (0.60) P2RX3ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1305163 0.85 TDP1 (0.49) P2RX3ALDH1A1KDM4ERAB9AHPGD
SCHEMBL1306516 0.85 P2RX3 (0.63) P2RX3ALDH1A1KDM4ERAB9AHPGD
SCHEMBL1306515 0.85 P2RX3 (0.63) P2RX3ALDH1A1KDM4ERAB9AHPGD
SCHEMBL17043074 0.84 P2RX3 (0.62) P2RX3KDM4EL3MBTL1TDP1MAPT

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 5 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
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 P2RX3 4630/4885ALDH1A1 673/4885KDM4E 125/4885

“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.

Send feedback