SCHEMBL1306786

SCHEMBL1306786

O=C(O)c1ccc(C=C(CNC2CCN(C3CCCC3)CC2)COc2cccc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.62
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
DAPK1 P53355 1/20 0.39
PIM3 Q86V86 1/20 0.39
MAPT P10636 4/20 0.39
PREP P48147 2/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1306782 1.00 P2RX3 (0.62) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1306784 1.00 P2RX3 (0.62) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1306190 0.97 P2RX3 (0.64) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307347 0.97 P2RX3 (0.64) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1306187 0.97 P2RX3 (0.64) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307023 0.94 P2RX3 (0.64) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307021 0.94 P2RX3 (0.64) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307019 0.94 P2RX3 (0.64) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1305475 0.92 P2RX3 (0.71) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1305471 0.92 P2RX3 (0.71) P2RX3MEN1KMT2AALDH1A1KDM4E

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 4630/4885MEN1 4379/4885KMT2A 111/4885

“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.