SCHEMBL11932195

SCHEMBL11932195

CCCCCc1ccc(OCCNC(CC(=O)OC)CC(=O)OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
PDE4A P27815 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PLA2G4A P47712 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL910656 0.89 ITGB3 (0.44) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL910655 0.88 ITGB3 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL13118920 0.86 MAPT (0.51) ALDH1A1SMN1; SMN2LMNACYP3A4KDM4E
SCHEMBL910803 0.82 SUCNR1 (0.52)
Hydrochloric Acid SCHEMBL910657 0.77 LTA4H (0.45)
SCHEMBL12869161 0.77 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL25456590 0.77 PLA2G4A (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL1667448 0.77 PLA2G4A (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL7528179 0.76 LMNA (0.62) ALDH1A1SMN1; SMN2LMNAKDM4ECYP1A2
Cyclopropane SCHEMBL11854090 0.75 PLA2G4A (0.55) ALDH1A1SMN1; SMN2MEN1KMT2AUSP2

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-8507497-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-08-13 US disclosed
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-08-30 US disclosed
US-8211895-B2 Capped pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-03 US disclosed
US-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2011-01-06 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 (2 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-20110003832-A1 NEW CAPPED Pyrazinoylguanidine SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 ALDH1A1 3718/4885SMN1; SMN2 2910/4885MEN1 3209/4885
US-20120220606-A1 NEW CAPPED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS CACNA1B, CACNA1C, HCN4 ALDH1A1 3718/4885SMN1; SMN2 2910/4885MEN1 3209/4885

“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.