SCHEMBL17672255

SCHEMBL17672255

CC(=O)c1cccc(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.77
ALDH1A1 P00352 7/20 0.77
SMN1; SMN2 Q16637 6/20 0.77
NPC1 O15118 5/20 0.77
RAB9A P51151 5/20 0.77
HPGD P15428 5/20 0.77
KMT2A Q03164 7/20 0.70
MEN1 O00255 5/20 0.70
COMT P21964 2/20 0.67
MMP2 P08253 1/20 0.67
MMP9 P14780 1/20 0.67
MMP8 P22894 1/20 0.67
MMP13 P45452 1/20 0.67
MAPT P10636 5/20 0.64
POLB P06746 3/20 0.64
THRB P10828 1/20 0.64
RECQL P46063 1/20 0.64
ATM Q13315 1/20 0.64
TP53 P04637 6/20 0.58
HSD17B10 Q99714 2/20 0.58

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
SCHEMBL31679082 0.87 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4714012 0.87 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3340887 0.86 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3335676 0.85 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31472953 0.83 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28591279 0.83 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2244254 0.82 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17706589 0.81 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17705602 0.81 MMP2 (0.80) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL18426870 0.81 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250002519-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2025-01-02 US disclosed
US-12071445-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2024-08-27 US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 US disclosed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 US disclosed
US-11603381-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2023-03-14 US disclosed
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2021-03-04 US disclosed
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2021-03-04 US disclosed
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2021-01-19 US disclosed
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2021-01-19 US disclosed
EP-3736279-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME Yale University (US) 2020-11-11 EP disclosed
EP-3204395-B1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2020-05-27 EP disclosed
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2017-10-26 US disclosed
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2017-10-26 US disclosed
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME UNIV YALE (US) 2017-10-26 US disclosed
EP-3204395-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME Yale University (US) 2017-08-16 EP disclosed
WO-2016057600-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2016-04-14 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 (7 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-20250002519-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 KDM4E 656/4885ALDH1A1 1759/4885SMN1; SMN2 2929/4885
US-11603381-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 KDM4E 844/4885ALDH1A1 2091/4885SMN1; SMN2 3274/4885
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 KDM4E 656/4885ALDH1A1 1759/4885SMN1; SMN2 2929/4885
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 KDM4E 656/4885ALDH1A1 1759/4885SMN1; SMN2 2929/4885
US-20170305948-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 KDM4E 656/4885ALDH1A1 1759/4885SMN1; SMN2 2929/4885
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 KDM4E 844/4885ALDH1A1 2091/4885SMN1; SMN2 3274/4885
US-12071445-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 KDM4E 844/4885ALDH1A1 2091/4885SMN1; SMN2 3274/4885

“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.