SCHEMBL874639

SCHEMBL874639

CC(C)([C]=O)Oc1ccccc1N=Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CASP3 P42574 3/20 0.35
SENP7 Q9BQF6 3/20 0.35
SENP6 Q9GZR1 3/20 0.35
SENP8 Q96LD8 2/20 0.35
RAB9A P51151 1/20 0.35
PPARA Q07869 7/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 5/20 0.35
TRPA1 O75762 1/20 0.34
FTO Q9C0B1 1/20 0.34
MYC P01106 1/20 0.33
IDE P14735 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
SCHEMBL874638 1.00 KMT2A (0.38) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL10591441 0.84 FTO (0.49) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL10591445 0.84 FTO (0.49) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL10593736 0.82 MAPT (0.40) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL10593731 0.82 MAPT (0.40) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL874640 0.78 KMT2A (0.38) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL3295384 0.76 PPARA (0.41) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL3295387 0.76 PPARA (0.41) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL5146714 0.76 PPARA (0.41) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL111612 0.76 PPARA (0.52) KMT2AMEN1ALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES FUTURECHEM CO., LTD. (KR) 2012-08-23 US claimed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US claimed
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof MELINTA SUBSIDIARY CORP. (US) 2024-06-04 US disclosed
CN-111556872-B Synthesis of borate derivatives and uses thereof 梅琳塔治疗公司 2024-05-10 CN disclosed
CN-117986153-A Ionizable cationic lipid compound, and preparation method and application thereof 晟迪生物医药(苏州)有限公司 2024-05-07 CN disclosed
EP-4356736-A2 SYNTHESIS OF BORONATE SALTS Melinta Therapeutics, Inc. (US) 2024-04-24 EP disclosed
EP-3604316-B1 SYNTHESIS OF BORONATE SALTS MELINTA THERAPEUTICS INC (US) 2023-12-06 EP disclosed
US-20230114064-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-04-13 US disclosed
US-20200377529-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-12-03 US disclosed
US-10800797-B2 Heteroaromatic silicon-fluoride-acceptors useful for 18F labeling of molecules and biomolecules, and methods of preparing same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-10-13 US disclosed
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF MELINTA SUBSIDIARY CORP. 2020-10-01 US disclosed
EP-1938823-A1 AGENT FOR PREVENTING OR TREATING PANCREAS CANCER, OVARY CANCER OR LIVER CANCER CONTAINING NOVEL WATER-SOLUBLE PRODRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-07-02 EP disclosed
EP-1925309-A1 NOVEL ANTICANCER CONCOMITANT DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-05-28 EP disclosed
US-20080015157-A1 Novel Water-Soluble Prodrugs CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-01-17 US disclosed
EP-1790640-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-30 EP disclosed
EP-1757609-A1 NOVEL WATER-SOLUBLE PRODRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-02-28 EP disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 EP disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2003092581-A9 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS HK PHARMACEUTICALS INC (US) 2004-02-19 WO disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US 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-10800797-B2 Heteroaromatic silicon-fluoride-acceptors useful for 18F labeling of molecules and biomolecules, and methods of preparing same SSTR3, FUCA1, FAM83A KMT2A 393/4885MEN1 361/4885ALDH1A1 1633/4885
US-20200377529-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME FER, KIT, PFAS KMT2A 1207/4885MEN1 246/4885ALDH1A1 1652/4885
US-20230114064-A1 NOVEL HETEROAROMATIC SILICON-FLUORIDE-ACCEPTORS USEFUL FOR 18F LABELING OF MOLECULES AND BIOMOLECULES, AND METHODS OF PREPARING SAME KIT, FER, FUT8 KMT2A 692/4885MEN1 319/4885ALDH1A1 1668/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 KMT2A 3000/4885MEN1 3249/4885ALDH1A1 69/4885
US-20080015157-A1 Novel Water-Soluble Prodrugs ADH1A, ADH1C, SLC43A1 KMT2A 3780/4885MEN1 1127/4885ALDH1A1 142/4885
US-20120214994-A1 (3-FLUORO-2-HYDROXY)PROPYL-FUNCTIONALIZED ARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR THE DIAGNOSIS OR TREATMENT OF NEURODEGENERATIVE BRAIN DISEASES APP, FABP7, SLC3A2 KMT2A 2772/4885MEN1 2198/4885ALDH1A1 2595/4885
US-20200308197-A1 SYNTHESIS OF BORONATE ESTER DERIVATIVES AND USES THEREOF ADH5, ADH1A, ADH7 KMT2A 3000/4885MEN1 3249/4885ALDH1A1 69/4885

“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.