SCHEMBL10051173

SCHEMBL10051173

O=CCN(CC=O)CCN(CCN(CC=O)CC=O)CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
BLM P54132 2/20 0.64
PMP22 Q01453 2/20 0.64
KDM4E B2RXH2 2/20 0.64
ALOX15 P16050 2/20 0.64
LMNA P02545 1/20 0.64
CHRM2 P08172 1/20 0.64
ADRA2A P08913 1/20 0.64
TSHR P16473 1/20 0.64
DRD1 P21728 1/20 0.64
SLC6A2 P23975 1/20 0.64
SLC6A4 P31645 1/20 0.64
CYP2C19 P33261 1/20 0.64
ADRA1A P35348 1/20 0.64
DRD3 P35462 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HRH3 Q9Y5N1 1/20 0.64
EYA2 O00167 1/20 0.59
APP P05067 1/20 0.59
ACE P12821 1/20 0.59

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
SCHEMBL13060551 0.98 TDP1 (0.68) TDP1BLMPMP22KDM4EALOX15
SCHEMBL19726617 0.95 TDP1 (0.67) TDP1BLMPMP22KDM4EALOX15
SCHEMBL12892856 0.95 TDP1 (0.59) TDP1BLMPMP22KDM4EALOX15
SCHEMBL5590784 0.95 TDP1 (0.64) TDP1BLMPMP22KDM4EALOX15
SCHEMBL5551303 0.93 TDP1 (0.68) TDP1BLMPMP22KDM4EALOX15
SCHEMBL5533656 0.93 TDP1 (0.64) TDP1BLMPMP22KDM4EALOX15
SCHEMBL16349998 0.93 TDP1 (0.62) TDP1BLMPMP22KDM4EALOX15
SCHEMBL12392750 0.91 TDP1 (0.67) TDP1BLMPMP22KDM4EALOX15
SCHEMBL7740566 0.91 TDP1 (0.67) TDP1BLMPMP22KDM4EALOX15
SCHEMBL15499760 0.88 TDP1 (0.50) TDP1BLMPMP22KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115000-B2 Pyrazine derivatives and uses thereof in renal monitoring MALLINCKRODT LLC (US) 2012-02-14 US disclosed
US-20110250139-A1 Modified Pyrazine Derivatives and Uses Thereof MEDIBEACON, INC. 2011-10-13 US disclosed
US-20110250140-A1 Modified Pyrazine Derivatives and Uses Thereof MEDIBEACON, INC. 2011-10-13 US disclosed
EP-1836175-B1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MALLINCKRODT INC (US) 2010-04-28 EP disclosed
US-7674902-B2 Luminescent metal complexes for monitoring renal function MALLINCKRODT INC. (US) 2010-03-09 US disclosed
EP-2135863-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2009-12-23 EP disclosed
US-20090198053-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring MEDIBEACON INC. 2009-08-06 US disclosed
EP-2039688-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2009-03-25 EP disclosed
US-20090010851-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function MALLINCKRODT INC. (US) 2009-01-08 US disclosed
US-20080299038-A1 Luminescent Metal Complexes for Monitoring Renal Function MALLINCKRODT INC. (US) 2008-12-04 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 (5 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-20080299038-A1 Luminescent Metal Complexes for Monitoring Renal Function REN, GLS, ATP6V1B1 TDP1 3740/4885BLM 2497/4885PMP22 2391/4885
US-20110250139-A1 Modified Pyrazine Derivatives and Uses Thereof GLS, GLS2, PLPBP TDP1 1649/4885BLM 605/4885PMP22 641/4885
US-20090010851-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function GLS, CYP4F12, XDH TDP1 3171/4885BLM 4190/4885PMP22 1253/4885
US-20110250140-A1 Modified Pyrazine Derivatives and Uses Thereof GLS, PKM, PKN3 TDP1 3593/4885BLM 4283/4885PMP22 199/4885
US-20090198053-A1 Pyrazine Derivatives and Uses Thereof in Renal Monitoring GLS, CYP3A5, PYCR1 TDP1 3113/4885BLM 4642/4885PMP22 1035/4885

“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.