SCHEMBL874433

SCHEMBL874433

O=C(O)c1nc(N2CCSCC2)c(C(=O)O)nc1N1CCSCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
INMT O95050 1/20 0.38
EGLN1 Q9GZT9 4/20 0.37
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN11 Q06124 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
AR P10275 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2339880 0.94 L3MBTL1 (0.42) L3MBTL1MEN1PKMKMT2AINMT
SCHEMBL2347716 0.82 L3MBTL1 (0.39) L3MBTL1MEN1PKMKMT2AINMT
SCHEMBL13377947 0.81 ALDH1A1 (0.43) L3MBTL1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1760423 0.78 ALDH1A1 (0.41) L3MBTL1MEN1PKMKMT2AINMT
SCHEMBL898825 0.76 POLB (0.47) L3MBTL1MEN1PKMKMT2AALDH1A1
SCHEMBL874422 0.76 HRH1 (0.41) ALDH1A1KDM4ETSHRHSD17B10CYP2C9
SCHEMBL13378024 0.74 KDM4E (0.47) ALDH1A1KDM4ERAB9ALMNA
SCHEMBL9947197 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9903440 0.72 L3MBTL1 (0.38) L3MBTL1MEN1PKMKMT2AINMT
SCHEMBL2344594 0.71 POLB (0.46) L3MBTL1MEN1PKMKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695445-B2 Methods of using optical agents MEDIBEACON INC. (US) 2020-06-30 US claimed
US-20190022256-A1 METHODS OF USING OPTICAL AGENTS MALLINCKRODT LLC 2019-01-24 US claimed
US-20160045619-A1 METHODS OF USING OPTICAL AGENTS MALLINCKRODT INC. 2016-02-18 US claimed
EP-1986701-B1 OPTICAL AGENTS FOR USE IN SURGERY MALLINCKRODT LLC (US) 2012-06-13 EP claimed
US-20080312539-A1 Methods of Using Optical Agents MEDIBEACON, INC. 2008-12-18 US claimed
EP-1986701-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT, INC. (US) 2008-11-05 EP claimed
WO-2007106142-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT INC. (US) 2007-09-20 WO claimed
US-20240125703-A1 SYSTEMS AND METHODS FOR QUANTIFYING USER OBSERVED VISUALIZATION OF FLUORESCENCE IMAGING AGENTS STRYKER CORPORATION 2024-04-18 US disclosed
WO-2024059825-A1 SYSTEMS AND METHODS FOR QUANTIFYING USER OBSERVED VISUALIZATION OF FLUORESCENCE IMAGING AGENTS STRYKER CORPORATION (US) 2024-03-21 WO disclosed
WO-2023088134-A1 NOVEL BORONSOME FACILITATING DIAGNOSIS AND TREATMENT 北京大学 2023-05-25 WO disclosed
WO-2023069892-A1 CONDITIONALLY ACTIVE PROTEINS FOR NEURODEGENERATIVE DISEASES SHORT JAY M (US) 2023-04-27 WO disclosed
US-11607458-B2 Enrichment-triggered chemical delivery system GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-03-21 US disclosed
US-11351274-B2 Methods of using optical agents MEDIBEACON INC. (US) 2022-06-07 US disclosed
EP-1986701-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT, INC. (US) 2008-11-05 EP 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
EP-1854790-A1 Fluorescent pyrazine derivatives and methods of using the same in assessing renal function Mallinckrodt, Inc. (US) 2007-11-14 EP disclosed
EP-1836175-A2 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MALLINCKRODT, INC. (US) 2007-09-26 EP disclosed
WO-2007106142-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT INC. (US) 2007-09-20 WO disclosed
WO-2007106142-A2 PROCESS FOR USING OPTICAL AGENTS MALLINCKRODT INC. (US) 2007-09-20 WO disclosed
WO-2006071759-A2 FLUORESCENT PYRAZINE DERIVATIVES AND METHODS OF USING THE SAME IN ASSESSING RENAL FUNCTION MALLINCKRODT INC. (US) 2006-07-06 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 (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-20160045619-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL L3MBTL1 4515/4885MEN1 327/4885PKM 3005/4885
US-11607458-B2 Enrichment-triggered chemical delivery system HMGB1, PAICS, CCL2 L3MBTL1 2655/4885MEN1 1575/4885PKM 2079/4885
US-10695445-B2 Methods of using optical agents REN, ATP6V1B1, VHL L3MBTL1 4515/4885MEN1 327/4885PKM 3005/4885
US-20190022256-A1 METHODS OF USING OPTICAL AGENTS REN, ATP6V1B1, VHL L3MBTL1 4515/4885MEN1 327/4885PKM 3005/4885
US-11351274-B2 Methods of using optical agents REN, ATP6V1B1, VHL L3MBTL1 4515/4885MEN1 327/4885PKM 3005/4885

“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.