SCHEMBL12449600

SCHEMBL12449600

O=C(O)c1nc(N(CCO)CCO)c(C(=O)O)nc1N(CCO)CCO

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 5/20 0.37
▸ CRHR1 P34998 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL15461691 0.79 GAA (0.36) SLC29A1CRHR1GAAHTTTDP1
SCHEMBL13377948 0.67 HPGD (0.39) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1035062 0.63 SLC29A1 (0.58) SLC29A1GAATDP1ALDH1A1MAPT
SCHEMBL12449940 0.61 GAA (0.40) SLC29A1GAAHTTMAPTSMN1; SMN2
SCHEMBL22382 0.60 ALDH1A1 (0.55) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13567348 0.60 GAA (0.39) SLC29A1GAAHTTKDM4E
SCHEMBL13377995 0.58 TSHR (0.41) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL28726114 0.58 ALDH1A1 (0.52) TDP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL12169523 0.56 SLC29A1 (0.64) SLC29A1GAAHTTTDP1ALDH1A1
Trolamine SCHEMBL5874273 0.56 ALOX15 (0.46) TDP1MAPTSMN1; SMN2KDM4E

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351274-B2 Methods of using optical agents MEDIBEACON INC. (US) 2022-06-07 — — US disclosed
US-20220127237-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MEDIBEACON INC. 2022-04-28 — — US disclosed
US-11185597-B2 Process for using optical agents MEDIBEACON, INC. (US) 2021-11-30 — — US disclosed
US-10695445-B2 Methods of using optical agents MEDIBEACON INC. (US) 2020-06-30 — — US disclosed
US-10617687-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function MEDIBEACON INC. (US) 2020-04-14 — — US disclosed
US-20190192696-A1 METHODS OF USING OPTICAL AGENTS MALLINCKRODT LLC 2019-06-27 — — US disclosed
US-20190192695-A1 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT LLC 2019-06-27 — — US disclosed
US-20190022256-A1 METHODS OF USING OPTICAL AGENTS MALLINCKRODT LLC 2019-01-24 — — US disclosed
US-20170298030-A9 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION Medibeacon, LLC 2017-10-19 — — US disclosed
US-20160280666-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MEDIBEACON INC (US) 2016-09-29 — — US disclosed
EP-1854790-B1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function MALLINCKRODT INC (US) 2011-08-31 — — EP 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
EP-2135863-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2009-12-23 — — EP 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-20090010851-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function MALLINCKRODT INC. (US) 2009-01-08 — — US disclosed
US-20080312539-A1 Methods of Using Optical Agents MEDIBEACON, INC. 2008-12-18 — — US disclosed
US-20080312539-A1 Methods of Using Optical Agents MEDIBEACON, INC. 2008-12-18 — — US disclosed
EP-1854790-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2007-11-14 — — EP disclosed
WO-2007106142-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT INC. (US) 2007-09-20 — — 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 (11 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-20220127237-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, XDH, CYP4F12 SLC29A1 1189/4885CRHR1 1478/4885GAA 3762/4885
US-10617687-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function GLS, CYP4F12, XDH SLC29A1 1200/4885CRHR1 1406/4885GAA 3858/4885
US-20160280666-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, CYP4F12, XDH SLC29A1 1200/4885CRHR1 1406/4885GAA 3858/4885
US-10695445-B2 Methods of using optical agents REN, ATP6V1B1, VHL SLC29A1 2027/4885CRHR1 4617/4885GAA 1314/4885
US-20170298030-A9 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, CYP4F12, XDH SLC29A1 1200/4885CRHR1 1406/4885GAA 3858/4885
US-20190022256-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL SLC29A1 2027/4885CRHR1 4617/4885GAA 1314/4885
US-20190192695-A1 PROCESS FOR USING OPTICAL AGENTS REN, ATP6V1B1, VHL SLC29A1 2675/4885CRHR1 4652/4885GAA 925/4885
US-20090010851-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function GLS, CYP4F12, XDH SLC29A1 1200/4885CRHR1 1406/4885GAA 3858/4885
US-11185597-B2 Process for using optical agents REN, ATP6V1B1, VHL SLC29A1 2675/4885CRHR1 4652/4885GAA 925/4885
US-11351274-B2 Methods of using optical agents REN, ATP6V1B1, VHL SLC29A1 2027/4885CRHR1 4617/4885GAA 1314/4885
US-20190192696-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL SLC29A1 2027/4885CRHR1 4617/4885GAA 1314/4885

“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.

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