SCHEMBL1306221

SCHEMBL1306221

CN(C(=O)/C(=C/c1ccc(C(=O)NO)cc1)COc1cccc2ccccc12)C1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ OGG1 O15527 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
SCHEMBL1306167 0.91 P2RX3 (0.46) P2RX3ALDH1A1KDM4EMAPTGAA
SCHEMBL2895820 0.91 P2RX3 (0.45) P2RX3ALDH1A1KDM4EMAPTTSHR
SCHEMBL3821001 0.83 P2RX3 (0.48) P2RX3ALDH1A1KDM4EMAPTGAA
SCHEMBL1306224 0.81 ALDH1A1 (0.50) P2RX3ALDH1A1KDM4EMAPTGAA
SCHEMBL1306225 0.81 ALDH1A1 (0.50) P2RX3ALDH1A1KDM4EMAPTGAA
SCHEMBL1305980 0.78 P2RX3 (0.44) P2RX3ALDH1A1KDM4EMAPTGAA
SCHEMBL3819048 0.78 P2RX3 (0.48) P2RX3ALDH1A1KDM4EMAPTGAA
SCHEMBL3822470 0.78 P2RX3 (0.63) P2RX3ALDH1A1KDM4EMAPTGAA
SCHEMBL1305135 0.77 P2RX3 (0.46) P2RX3ALDH1A1KDM4EMAPTGAA
SCHEMBL1306511 0.77 P2RX3 (0.53) P2RX3ALDH1A1KDM4EMAPTGAA

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 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.

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