SCHEMBL965126

SCHEMBL965126

NCCCCc1ccc(CCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.62
TGM2 P21980 1/20 0.59
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KEAP1 Q14145 2/20 0.56
NFE2L2 Q16236 2/20 0.56
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
MAOA P21397 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
TPSAB1 Q15661 1/20 0.51
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FOLH1 Q04609 1/20 0.50

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
SCHEMBL15839494 0.97 HTT (0.62) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL30605362 0.95 TGM2 (0.57) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL30605293 0.94 HTT (0.58) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL335088 0.93 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL4363476 0.92 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL235394 0.92 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
Bicarbonate SCHEMBL10633260 0.92 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL3049211 0.92 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL2076614 0.92 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL19240717 0.92 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035004-B1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES INC (US) 2012-08-08 EP disclosed
EP-2035004-B1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES INC (US) 2012-08-08 EP disclosed
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 US disclosed
EP-2035004-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY Parion Sciences, Inc. (US) 2009-03-18 EP disclosed
WO-2007146869-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2007-12-21 WO 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-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G HTT 1824/4885TGM2 4237/4885LMNA 991/4885

“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.