SCHEMBL13378024

SCHEMBL13378024

O=C(O)c1nc(N2CCS(=O)(=O)CC2)c(C(=O)O)nc1N1CCS(=O)(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.34
FAAH O00519 1/20 0.33
APEX1 P27695 1/20 0.33
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.32
KIF18A Q8NI77 1/20 0.31
GRIA1 P42261 1/20 0.31
CDK1 P06493 1/20 0.31
CDK2 P24941 1/20 0.31
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
AKT3 Q9Y243 1/20 0.30
WNT3A P56704 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
SCHEMBL15461703 0.81 KDM4E (0.42) KDM4EALDH1A1WNT3A
SCHEMBL13377947 0.79 ALDH1A1 (0.43) KDM4EALDH1A1RAB9ALMNA
SCHEMBL898825 0.74 POLB (0.47) KDM4EALDH1A1LMNA
SCHEMBL874433 0.74 L3MBTL1 (0.43) KDM4EALDH1A1RAB9ALMNA
SCHEMBL9947197 0.72 ALDH1A1 (0.32) ALDH1A1
SCHEMBL24070271 0.70 KDM4E (0.41) KDM4EALDH1A1RAB9AFAAHAPEX1
SCHEMBL2339894 0.69 HRH1 (0.39) KDM4EALDH1A1LMNA
SCHEMBL2344594 0.69 POLB (0.46) KDM4EALDH1A1
SCHEMBL2339880 0.69 L3MBTL1 (0.42) KDM4EALDH1A1RAB9ALMNA
SCHEMBL3829493 0.68 KMT2A (0.63) KDM4EALDH1A1LMNA

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 23 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-20190192695-A1 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT LLC 2019-06-27 US disclosed
US-20190192696-A1 METHODS OF 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
US-8778309-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function MEDIBEACON LLC (US) 2014-07-15 US disclosed
US-8778309-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function MEDIBEACON LLC (US) 2014-07-15 US disclosed
US-20140039191-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function Medibeacon, LLC (US) 2014-02-06 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 KDM4E 2713/4885ALDH1A1 546/4885RAB9A 4234/4885
US-10617687-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function GLS, CYP4F12, XDH KDM4E 3146/4885ALDH1A1 393/4885RAB9A 4156/4885
US-20160280666-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, CYP4F12, XDH KDM4E 3146/4885ALDH1A1 393/4885RAB9A 4156/4885
US-10695445-B2 Methods of using optical agents REN, ATP6V1B1, VHL KDM4E 3068/4885ALDH1A1 2024/4885RAB9A 1018/4885
US-20170298030-A9 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, CYP4F12, XDH KDM4E 3146/4885ALDH1A1 393/4885RAB9A 4156/4885
US-20190022256-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL KDM4E 3068/4885ALDH1A1 2024/4885RAB9A 1018/4885
US-20190192695-A1 PROCESS FOR USING OPTICAL AGENTS REN, ATP6V1B1, VHL KDM4E 2757/4885ALDH1A1 1866/4885RAB9A 889/4885
US-20090010851-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function GLS, CYP4F12, XDH KDM4E 3146/4885ALDH1A1 393/4885RAB9A 4156/4885
US-20140039191-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function GLS, CYP4F12, XDH KDM4E 3146/4885ALDH1A1 393/4885RAB9A 4156/4885
US-11185597-B2 Process for using optical agents REN, ATP6V1B1, VHL KDM4E 2757/4885ALDH1A1 1866/4885RAB9A 889/4885
US-11351274-B2 Methods of using optical agents REN, ATP6V1B1, VHL KDM4E 3068/4885ALDH1A1 2024/4885RAB9A 1018/4885
US-20190192696-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL KDM4E 3068/4885ALDH1A1 2024/4885RAB9A 1018/4885

“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.