SCHEMBL10123100

SCHEMBL10123100

CN(C)c1ccc2nc3c(COON4C(=O)CCC4=O)cc(=O)cc-3oc2c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 7/20 0.33
SCP2 P22307 1/20 0.33
ELANE P08246 2/20 0.33
CYP1A2 P05177 1/20 0.32
GPR119 Q8TDV5 2/20 0.30
PSMB5 P28074 1/20 0.30

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
SCHEMBL30898571 0.78 RAB9A (0.46) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL27310713 0.78 RAB9A (0.46) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL15887423 0.71 MEN1 (0.45) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL1104939 0.67 APP (0.46) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3494330 0.66 APP (0.63) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL8858355 0.64 NPC1 (0.76) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL13965008 0.64 MEN1 (0.37) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL10123098 0.63 APP (0.44) APPCYP1A2
SCHEMBL13521801 0.61 SCP2 (0.67) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL5916788 0.60 MEN1 (0.50) MEN1NPC1POLBRAB9AKMT2A

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
US-9846168-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2017-12-19 US disclosed
US-20160305964-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts MOLECULAR PROBES, INC. 2016-10-20 US disclosed
US-9372181-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2016-06-21 US disclosed
US-20140363824-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts MOLECULAR PROBES, INC. 2014-12-11 US disclosed
US-8785208-B2 Fluorescent metal ion indicators with large stokes shifts Life Technologies Corporation (US) 2014-07-22 US disclosed
US-20120009683-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts Life Technologies Corporation (US) 2012-01-12 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-20120009683-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts SARAF, STIM1, ORAI1 MEN1 137/4885NPC1 968/4885POLB 4846/4885
US-20160305964-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts SARAF, STIM1, ORAI1 MEN1 137/4885NPC1 968/4885POLB 4846/4885

“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.