SCHEMBL12220263

SCHEMBL12220263

CCC[n+]1ccn(CCCCCCCCCCCCn2cc[n+](CCC)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
HSP90AA1 P07900 2/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
APAF1 O14727 1/20 0.55
NPC1 O15118 1/20 0.55
PLA2G1B P04054 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
FDPS P14324 17/20 0.48

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
Iodide SCHEMBL2533633 0.98 MEN1 (0.55) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL4266804 0.96 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5288264 0.96 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5301127 0.96 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5286011 0.96 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5291994 0.96 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5290107 0.96 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5284351 0.96 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5288678 0.96 MEN1 (0.62) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL5289982 0.96 MEN1 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632914-B2 Triazolium and imidazolium salts and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2014-01-21 US disclosed
US-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2011-10-20 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-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF ARG2, ARG1, CIT MEN1 3327/4885HSP90AA1 1502/4885KMT2A 3456/4885

“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.