SCHEMBL2891102

SCHEMBL2891102

O=C(NCCCN1CCCC1)/C(=C/c1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HRH3 Q9Y5N1 5/20 0.46
▸ HTR2A P28223 3/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ HTR6 P50406 2/20 0.46
▸ GCGR P47871 1/20 0.43
▸ DRD3 P35462 6/20 0.43
▸ FAAH O00519 4/20 0.43
▸ DRD2 P14416 3/20 0.43
▸ CNR1 P21554 2/20 0.43
▸ P2RX3 P56373 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2891106 1.00 TDP1 (0.47) TDP1KDM4EHSD17B10HRH3HTR2A
SCHEMBL1305640 0.92 MAPT (0.51) KDM4ECNR1MAPTPOLBKMT2A
SCHEMBL1305638 0.92 MAPT (0.51) KDM4ECNR1MAPTPOLBKMT2A
SCHEMBL1306574 0.91 TDP1 (0.46) TDP1KDM4EHSD17B10HRH3HTR2A
SCHEMBL1306577 0.88 DRD3 (0.46) TDP1KDM4EHSD17B10HRH3HTR2A
SCHEMBL2895798 0.88 KDM4E (0.46) KDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL2895802 0.88 KDM4E (0.46) KDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL1307083 0.87 SLC2A1 (0.42) KDM4EHSD17B10P2RX3MAPT
SCHEMBL1307077 0.87 SLC2A1 (0.42) KDM4EHSD17B10P2RX3MAPT
SCHEMBL1305680 0.84 MAPT (0.49) TDP1KDM4EP2RX3MAPTMEN1

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 4 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-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 TDP1 2037/4885KDM4E 125/4885HSD17B10 315/4885

“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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