SCHEMBL1306387

SCHEMBL1306387

O=C(O)c1ccc(C=C(CNCCc2ccc(O)cc2)COc2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 3/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 2/20 0.48
BLM P54132 1/20 0.48
P2RX3 P56373 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.43
DAPK1 P53355 1/20 0.42
PIM3 Q86V86 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
OGG1 O15527 1/20 0.39

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
SCHEMBL1306385 1.00 KMT2A (0.48) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL1306460 0.91 P2RX3 (0.56) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL1306462 0.91 P2RX3 (0.56) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL1306463 0.91 P2RX3 (0.56) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL5796084 0.84 P2RX3 (0.47) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL1306547 0.83 KMT2A (0.46) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL1306549 0.83 KMT2A (0.46) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL1306838 0.81 P2RX3 (0.54) KMT2AMAPTMEN1POLBP2RX3
SCHEMBL1306842 0.81 P2RX3 (0.54) KMT2AMAPTMEN1POLBP2RX3
SCHEMBL1306835 0.81 P2RX3 (0.54) KMT2AMAPTMEN1POLBP2RX3

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 KMT2A 111/4885MAPT 2919/4885SMN1; SMN2 3845/4885

“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.