SCHEMBL3450437

SCHEMBL3450437

NCC(O)COc1ccc(CCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.50
TGM2 P21980 1/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
ITGB3 P05106 5/20 0.46
ITGA2B P08514 5/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ANPEP P15144 1/20 0.46
BCHE P06276 1/20 0.46
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2332859 0.90 MAPT (0.53) MAPTL3MBTL1HTTTGM2ADRB2
SCHEMBL918030 0.87 MAPT (0.49) MAPTL3MBTL1HTTTGM2ADRB2
SCHEMBL937424 0.84 MAPT (0.62) MAPTL3MBTL1HTTTGM2KEAP1
SCHEMBL12120481 0.84 MAPT (0.54) MAPTL3MBTL1HTTTGM2KEAP1
Hydrochloric Acid SCHEMBL937423 0.84 MAPT (0.61) MAPTL3MBTL1HTTTGM2KEAP1
SCHEMBL12120485 0.83 L3MBTL1 (0.55) MAPTL3MBTL1HTTTGM2KEAP1
SCHEMBL916687 0.82 HTT (0.60) MAPTL3MBTL1HTTTGM2KEAP1
SCHEMBL965126 0.81 HTT (0.62) MAPTL3MBTL1HTTTGM2KEAP1
SCHEMBL15839494 0.81 HTT (0.62) MAPTL3MBTL1HTTTGM2KEAP1
SCHEMBL16572084 0.80 L3MBTL1 (0.69) MAPTL3MBTL1HTTTGM2KEAP1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820678-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2010-10-26 US disclosed
EP-1599096-B1 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-12-24 EP disclosed
US-20080076782-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-03-27 US disclosed
US-7345044-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2008-03-18 US disclosed
US-20060142581-A1 Hetero substitued sodium channel blockers PARION SCIENCES, INC. (US) 2006-06-29 US disclosed
US-7030117-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2006-04-18 US disclosed
US-7026325-B2 Sodium channel blockers PARION-SCIENCES, INC. (US) 2006-04-11 US disclosed
US-20060063780-A1 Sodium channel blockers JOHNSON MICHAEL R 2006-03-23 US disclosed
EP-1599096-A4 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2006-03-22 EP disclosed
US-6995160-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2006-02-07 US disclosed
EP-1599096-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2005-11-30 EP disclosed
US-6903105-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-06-07 US disclosed
US-20050113389-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
US-20050113388-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
US-20050113390-A1 Sodium channel blockers PARION SCIENCES, INC. (US) 2005-05-26 US disclosed
WO-2004073629-A2 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2004-09-02 WO disclosed
US-20040162296-A1 Sodium channel blockers PARION SCIENCES, INC. 2004-08-19 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 (7 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-20060142581-A1 Hetero substitued sodium channel blockers SCN2B, CACNA1B, CACNA1G MAPT 4399/4885L3MBTL1 3215/4885HTT 618/4885
US-20050113390-A1 Sodium channel blockers HCN4, SCN2B, SCN5A MAPT 2837/4885L3MBTL1 4049/4885HTT 915/4885
US-20050113389-A1 Sodium channel blockers HCN4, SCN2B, SCN5A MAPT 2837/4885L3MBTL1 4049/4885HTT 915/4885
US-20080076782-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A MAPT 2837/4885L3MBTL1 4049/4885HTT 915/4885
US-20050113388-A1 Sodium channel blockers HCN4, SCN2B, SCN5A MAPT 2837/4885L3MBTL1 4049/4885HTT 915/4885
US-20040162296-A1 Sodium channel blockers HCN4, SCN2B, SCN5A MAPT 2837/4885L3MBTL1 4049/4885HTT 915/4885
US-20060063780-A1 Sodium channel blockers HCN4, SCN2B, SCN5A MAPT 2837/4885L3MBTL1 4049/4885HTT 915/4885

“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.