SCHEMBL1306835

SCHEMBL1306835

COc1ccc(CCNC/C(=C/c2ccc(C(=O)NO)cc2)COc2cccc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.54
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL1306842 1.00 P2RX3 (0.54) P2RX3KMT2AMEN1HDAC1HDAC11
SCHEMBL1306838 1.00 P2RX3 (0.54) P2RX3KMT2AMEN1HDAC1HDAC11
SCHEMBL1306547 0.91 KMT2A (0.46) P2RX3KMT2AMEN1PTPN1ALDH1A1
SCHEMBL1306549 0.91 KMT2A (0.46) P2RX3KMT2AMEN1PTPN1ALDH1A1
SCHEMBL1306460 0.91 P2RX3 (0.56) P2RX3KMT2AMEN1HDAC1HDAC11
SCHEMBL1306462 0.91 P2RX3 (0.56) P2RX3KMT2AMEN1HDAC1HDAC11
SCHEMBL1306463 0.91 P2RX3 (0.56) P2RX3KMT2AMEN1HDAC1HDAC11
SCHEMBL1306879 0.87 P2RX3 (0.57) P2RX3KMT2AMEN1HDAC1HDAC11
SCHEMBL1306873 0.87 P2RX3 (0.57) P2RX3KMT2AMEN1HDAC1HDAC11
SCHEMBL1306876 0.87 P2RX3 (0.57) P2RX3KMT2AMEN1HDAC1HDAC11

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 4630/4885KMT2A 111/4885MEN1 4379/4885

“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.