SCHEMBL1308395

SCHEMBL1308395

O=C(O)c1ccc(/C=C(/CNC2CCN(CC3CCCCC3)C2)COc2cccc3ccccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.68
KDM2B Q8NHM5 5/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CCR1 P32246 2/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCL1 Q07820 2/20 0.38
BCL2 P10415 1/20 0.37
PREP P48147 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DAPK1 P53355 1/20 0.37

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
SCHEMBL1308399 1.00 P2RX3 (0.68) P2RX3KDM2BMEN1KMT2AALDH1A1
SCHEMBL1308398 1.00 P2RX3 (0.68) P2RX3KDM2BMEN1KMT2AALDH1A1
SCHEMBL1306302 0.92 P2RX3 (0.78) P2RX3KDM2BMEN1KMT2AALDH1A1
SCHEMBL1306307 0.92 P2RX3 (0.78) P2RX3KDM2BMEN1KMT2AALDH1A1
SCHEMBL1306304 0.92 P2RX3 (0.78) P2RX3KDM2BMEN1KMT2AALDH1A1
SCHEMBL1307354 0.89 P2RX3 (0.72) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307046 0.89 P2RX3 (0.72) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307048 0.89 P2RX3 (0.72) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307441 0.88 P2RX3 (0.87) P2RX3MEN1KMT2AALDH1A1KDM4E
SCHEMBL1307443 0.88 P2RX3 (0.87) 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 4630/4885KDM2B 159/4885MEN1 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.