SCHEMBL966830

SCHEMBL966830

O=C(NCCCCc1ccc(CCCCN2C(=O)c3ccccc3C2=O)cc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ASAH1 Q13510 1/20 0.56
HTT P42858 1/20 0.53
ACHE P22303 4/20 0.51
TGM2 P21980 1/20 0.51
TPSAB1 Q15661 3/20 0.51
TPSD1 Q9BZJ3 3/20 0.51
TPSG1 Q9NRR2 3/20 0.51
PLG P00747 1/20 0.51
ELANE P08246 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL8861893 0.87 HTT (0.54) HTTACHETGM2TPSAB1TPSD1
SCHEMBL2564693 0.83 LMNA (0.64) TDP1L3MBTL1HTTACHETGM2
SCHEMBL16409446 0.83 TPSAB1 (0.52) TDP1L3MBTL1HTTACHETGM2
SCHEMBL966047 0.82 ASAH1 (0.51) ASAH1HTTTGM2TPSAB1TPSD1
SCHEMBL16804701 0.82 HTT (0.62) L3MBTL1HTTTGM2ALDH1A1CYP1A2
SCHEMBL917677 0.81 HTT (0.65) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL2574008 0.81 HDAC3 (0.47) ASAH1HTTTGM2TPSAB1TPSD1
SCHEMBL6748819 0.81 HTT (0.72) L3MBTL1HTTTGM2CYP2D6CYP2C9
SCHEMBL30605297 0.80 HTT (0.63) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL29262775 0.80 LMNA (0.71) L3MBTL1HTTTPSAB1TPSD1TPSG1

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-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-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 TDP1 4087/4885L3MBTL1 3988/4885ASAH1 944/4885

“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.