SCHEMBL1306225

SCHEMBL1306225

O=C(NCC1CCCO1)C(=Cc1ccc(C(=O)NO)cc1)COc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ P2RX3 P56373 2/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HPGD P15428 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PTPN1 P18031 1/20 0.44

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
SCHEMBL1306224 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2P2RX3KDM4EGAA
SCHEMBL2895823 0.92 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2P2RX3KDM4EGAA
SCHEMBL2895817 0.92 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2P2RX3KDM4EGAA
SCHEMBL1306170 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHPGDMAPT
SCHEMBL1306221 0.81 P2RX3 (0.49) ALDH1A1P2RX3KDM4EGAAKMT2A
SCHEMBL1306511 0.81 P2RX3 (0.53) ALDH1A1SMN1; SMN2P2RX3KDM4EGAA
SCHEMBL1306507 0.81 P2RX3 (0.53) ALDH1A1SMN1; SMN2P2RX3KDM4EGAA
SCHEMBL3847829 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL3847824 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDMAPT
SCHEMBL1306672 0.79 P2RX3 (0.47) ALDH1A1P2RX3KDM4EGAAKMT2A

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 ALDH1A1 673/4885SMN1; SMN2 3845/4885P2RX3 4630/4885

“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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