SCHEMBL5562255

SCHEMBL5562255

CC(=O)Oc1ccc(CCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TGM2 P21980 1/20 0.54
LMNA P02545 1/20 0.52
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
TAAR1 Q96RJ0 2/20 0.51
GAA P10253 1/20 0.51
SLC6A5 Q9Y345 1/20 0.47

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
SCHEMBL12251784 0.86 MAPT (0.59) HTTSMN1; SMN2MAPTL3MBTL1TGM2
SCHEMBL968445 0.85 HTT (0.63) HTTSMN1; SMN2MAPTL3MBTL1TGM2
SCHEMBL16804706 0.85 HTT (0.62) HTTSMN1; SMN2MAPTL3MBTL1TGM2
SCHEMBL16804701 0.85 HTT (0.62) HTTSMN1; SMN2MAPTL3MBTL1TGM2
SCHEMBL917677 0.84 HTT (0.65) HTTSMN1; SMN2TGM2LMNAKEAP1
SCHEMBL6748819 0.84 HTT (0.72) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16804702 0.84 HTT (0.60) HTTSMN1; SMN2MAPTL3MBTL1TGM2
SCHEMBL16572084 0.83 L3MBTL1 (0.69) HTTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30605297 0.83 HTT (0.63) HTTSMN1; SMN2TGM2LMNAKEAP1
SCHEMBL916687 0.83 HTT (0.60) HTTSMN1; SMN2MAPTL3MBTL1TGM2

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-1786426-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2007-05-23 EP disclosed
WO-2006022935-A1 SOLUBLE AMIDE & ESTER PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2006-03-02 WO disclosed
US-20050090505-A1 Methods of reducing risk of infection from pathogens JOHNSON MICHAEL R (US) 2005-04-28 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-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 HTT 2397/4885SMN1; SMN2 1966/4885NPC1 130/4885

“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.