SCHEMBL9947197

SCHEMBL9947197

O=C(O)c1nc(N2CC[S+]([O-])CC2)c(C(=O)O)nc1N1CC[S+]([O-])CC1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL13377947 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL874433 0.73 L3MBTL1 (0.43) ALDH1A1
SCHEMBL898825 0.73 POLB (0.47) ALDH1A1
SCHEMBL13378024 0.72 KDM4E (0.47) ALDH1A1
SCHEMBL2344594 0.68 POLB (0.46) ALDH1A1
SCHEMBL2339880 0.68 L3MBTL1 (0.42) ALDH1A1
SCHEMBL3871185 0.62
SCHEMBL21564771 0.60
SCHEMBL30416191 0.59 KDM4E (0.32) ALDH1A1
SCHEMBL13142398 0.57 PTGS1 (0.42) ALDH1A1

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 25 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
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-1986701-B1 OPTICAL AGENTS FOR USE IN SURGERY MALLINCKRODT LLC (US) 2012-06-13 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 (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 ALDH1A1 546/4885
US-10617687-B2 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function GLS, CYP4F12, XDH ALDH1A1 393/4885
US-20160280666-A1 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, CYP4F12, XDH ALDH1A1 393/4885
US-10695445-B2 Methods of using optical agents REN, ATP6V1B1, VHL ALDH1A1 2024/4885
US-20170298030-A9 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION GLS, CYP4F12, XDH ALDH1A1 393/4885
US-20190022256-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL ALDH1A1 2024/4885
US-20190192695-A1 PROCESS FOR USING OPTICAL AGENTS REN, ATP6V1B1, VHL ALDH1A1 1866/4885
US-20090010851-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function GLS, CYP4F12, XDH ALDH1A1 393/4885
US-20140039191-A1 Fluorescent Pyrazine Derivatives and Methods of Using the Same in Assessing Renal Function GLS, CYP4F12, XDH ALDH1A1 393/4885
US-11185597-B2 Process for using optical agents REN, ATP6V1B1, VHL ALDH1A1 1866/4885
US-11351274-B2 Methods of using optical agents REN, ATP6V1B1, VHL ALDH1A1 2024/4885
US-20190192696-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL ALDH1A1 2024/4885

“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.