SCHEMBL938685

SCHEMBL938685

CC(C)(C)OC(=O)NCCNc1ccc(CCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.50
SYK P43405 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
TGM2 P21980 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
CTSK P43235 3/20 0.47
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NAMPT P43490 1/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL16808347 0.91 MAPT (0.59) MAPTHTTSYKSIGMAR1TGM2
SCHEMBL31471684 0.88 MAPT (0.56) MAPTHTTSYKSIGMAR1TGM2
SCHEMBL939868 0.87 HSP90AA1 (0.54) MAPTHTTSYKSIGMAR1TGM2
SCHEMBL936390 0.87 CA1 (0.51) MAPTHTTSYKSIGMAR1NAMPT
SCHEMBL13480435 0.86 MAPT (0.65) MAPTHTTSYKTGM2NPSR1
SCHEMBL15092810 0.85 MAPT (0.64) MAPTHTTSYKSIGMAR1TGM2
SCHEMBL20385193 0.85 MAPT (0.64) MAPTHTTSYKTGM2NPSR1
SCHEMBL15679441 0.85 MAPT (0.64) MAPTHTTSYKTGM2NPSR1
SCHEMBL13090607 0.85 MAPT (0.64) MAPTHTTSYKTGM2NPSR1
SCHEMBL30605344 0.85 SIGMAR1 (0.51) MAPTHTTSYKSIGMAR1TGM2

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-7875619-B2 N-[4-(4-{2-[bis-((2S,3R)-2,3,4-trihydroxybutyl)amino]ethylamino}phenyl)butyl]-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine trihydrochloride; treating chronic bronchitis, cystic fibrosis, ventilator-induced pneumonia, asthma, chronic obstructive pulmonary disease, pneumonia and emphysema PARION SCIENCES, INC. (US) 2011-01-25 US disclosed
US-7875619-B2 N-[4-(4-{2-[bis-((2S,3R)-2,3,4-trihydroxybutyl)amino]ethylamino}phenyl)butyl]-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine trihydrochloride; treating chronic bronchitis, cystic fibrosis, ventilator-induced pneumonia, asthma, chronic obstructive pulmonary disease, pneumonia and emphysema PARION SCIENCES, INC. (US) 2011-01-25 US disclosed
EP-1599096-B1 HETERO SUBSTITUED SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2008-12-24 EP disclosed
US-20060142581-A1 Hetero substitued sodium channel blockers PARION SCIENCES, INC. (US) 2006-06-29 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-20060142581-A1 Hetero substitued sodium channel blockers SCN2B, CACNA1B, CACNA1G MAPT 4399/4885HTT 618/4885SYK 4519/4885

“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.