SCHEMBL10115731

SCHEMBL10115731

CC(C)(C)OC(=O)NCCCOc1ccc(CCCCNC(=O)OCc2ccccc2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
SYK P43405 1/20 0.45
KLK7 P49862 1/20 0.45
KLK5 Q9Y337 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RECQL P46063 1/20 0.44
TGM2 P21980 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL10110708 0.88 SLC2A1 (0.52) MAPTL3MBTL1HTTMAPK1LMNA
SCHEMBL707901 0.85 CA12 (0.46)
SCHEMBL16572305 0.84 MAPT (0.48) MAPTL3MBTL1HTTPOLBMAPK1
SCHEMBL8821227 0.82 SCN9A (0.51) MAPTL3MBTL1POLBMAPK1SYK
SCHEMBL13480435 0.82 MAPT (0.65) MAPTL3MBTL1HTTPOLBMAPK1
SCHEMBL705283 0.82 HTT (0.49) MAPTL3MBTL1HTTLMNASMN1; SMN2
SCHEMBL10110709 0.81 HTT (0.55) MAPTL3MBTL1HTTLMNASMN1; SMN2
SCHEMBL8821205 0.81 MAPT (0.47) MAPTL3MBTL1HTTPOLBMAPK1
SCHEMBL15092810 0.81 MAPT (0.64) MAPTL3MBTL1HTTPOLBMAPK1
SCHEMBL15679441 0.81 MAPT (0.64) MAPTL3MBTL1HTTPOLBMAPK1

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
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-8124607-B2 Poly aromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2009-08-27 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 (2 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-20090214444-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B MAPT 1110/4885L3MBTL1 4580/4885HTT 723/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B MAPT 1110/4885L3MBTL1 4580/4885HTT 723/4885

“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.