SCHEMBL969073

SCHEMBL969073

O=C(NCCCCc1ccc(OCCNCc2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
BCHE P06276 4/20 0.62
DRD4 P21917 2/20 0.56
HTT P42858 1/20 0.52
S1PR1 P21453 3/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 1/20 0.51
S1PR3 Q99500 1/20 0.51
S1PR5 Q9H228 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MITF O75030 1/20 0.50
GAA P10253 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
SCHEMBL16804687 0.88 L3MBTL1 (0.67) MAPTL3MBTL1BCHEHTTS1PR1
SCHEMBL16572340 0.88 L3MBTL1 (0.64) MAPTL3MBTL1BCHEHTTS1PR1
SCHEMBL16572084 0.86 L3MBTL1 (0.69) MAPTL3MBTL1BCHEHTTS1PR1
SCHEMBL937424 0.86 MAPT (0.62) MAPTL3MBTL1BCHEHTTS1PR1
SCHEMBL3797832 0.85 L3MBTL1 (0.64) MAPTL3MBTL1BCHEHTTS1PR1
Hydrochloric Acid SCHEMBL937423 0.85 MAPT (0.61) MAPTL3MBTL1BCHEHTTS1PR1
SCHEMBL15092810 0.85 MAPT (0.64) MAPTL3MBTL1HTTLMNASMN1; SMN2
SCHEMBL17086053 0.84 L3MBTL1 (0.62) MAPTL3MBTL1HTTS1PR1LMNA
SCHEMBL2325792 0.84 MAPT (0.65) MAPTL3MBTL1HTTLMNASMN1; SMN2
SCHEMBL2328174 0.84 MAPT (0.65) MAPTL3MBTL1HTTLMNASMN1; SMN2

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 6 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

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 MAPT 3289/4885L3MBTL1 3988/4885BCHE 2324/4885

“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.