SCHEMBL10123102

SCHEMBL10123102

Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(CNC(=O)c3cc(=O)cc4oc5cc(N(C)C)ccc5nc3-4)ccc2N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCP2 P22307 1/20 0.38
MAPT P10636 5/20 0.38
POLB P06746 2/20 0.37
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
TP53 P04637 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NAMPT P43490 2/20 0.33
CTNNB1 P35222 1/20 0.32
TCF7L2 Q9NQB0 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL15887263 0.97 SCP2 (0.36) SCP2MAPTPOLBHCRTR1HCRTR2
SCHEMBL10123099 0.94 MAPT (0.36) SCP2MAPTPOLBHCRTR1HCRTR2
SCHEMBL10123095 0.74 MAOB (0.34) MAPTPOLBTP53KMT2ANPC1
SCHEMBL15887243 0.72 TDP1 (0.33) MAPTPOLBTP53KMT2ANAMPT
SCHEMBL12281241 0.69 MEN1 (0.36) SCP2MAPTPOLBKMT2AMEN1
SCHEMBL10123096 0.68 MAOB (0.35) MAPTPOLBTP53RXFP1KMT2A
SCHEMBL16003057 0.67 TDP1 (0.62) TDP1KDM4EALDH1A1HTT
SCHEMBL18161125 0.66 FTO (0.40) MAPTPOLBKMT2AMEN1TDP1
SCHEMBL10123088 0.66 FTO (0.38) MAPTPOLBKMT2AMEN1TDP1
SCHEMBL13212096 0.65 FTO (0.48) MAPTPOLBKMT2AMEN1TDP1

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 11 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-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-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-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-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
US-20090029389-A1 FLUORESCENT METAL ION INDICATORS WITH LARGE STOKES SHIFTS INVITROGEN CORPORATION (US) 2009-01-29 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 SCP2 1976/4885MAPT 1199/4885POLB 4846/4885
US-20160305964-A1 Fluorescent Metal Ion Indicators with Large Stokes Shifts SARAF, STIM1, ORAI1 SCP2 1976/4885MAPT 1199/4885POLB 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.