SCHEMBL1111589

SCHEMBL1111589

CCCCn1cc[n+](C)c1.CCOCCCCS(=O)(=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
HSP90AA1 P07900 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
APAF1 O14727 1/20 0.49
NPC1 O15118 1/20 0.49
PLA2G1B P04054 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
FDPS P14324 15/20 0.34

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
SCHEMBL933301 0.93 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28478541 0.87 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL4023088 0.87 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL2357881 0.87 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL3954819 0.87 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL4266271 0.84 MEN1 (0.69) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL7742082 0.84 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL932213 0.84 MEN1 (0.52) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1992343 0.84 MEN1 (0.52) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1111609 0.84 MEN1 (0.52) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642778-B2 Ionic liquids MERCK PATENT GMBH (DE) 2014-02-04 US disclosed
EP-2279192-B1 IONIC LIQUIDS MERCK PATENT GMBH (DE) 2013-10-30 EP disclosed
US-20110152537-A1 IONIC LIQUIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-23 US disclosed
EP-2279192-A2 IONIC LIQUIDS Merck Patent GmbH (DE) 2011-02-02 EP disclosed
WO-2009152902-A2 IONIC LIQUIDS MERCK PATENT GMBH, (DE) 2009-12-23 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-20110152537-A1 IONIC LIQUIDS HCN3, CHRNA3, CHRM3 MEN1 1351/4885HSP90AA1 4714/4885KMT2A 1185/4885

“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.