SCHEMBL874640

SCHEMBL874640

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.35
CASP3 P42574 3/20 0.35
SENP7 Q9BQF6 3/20 0.35
SENP6 Q9GZR1 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SENP8 Q96LD8 2/20 0.35
RAB9A P51151 2/20 0.35
PPARA Q07869 5/20 0.35
PPARG P37231 4/20 0.35
PPARD Q03181 3/20 0.35
TRPA1 O75762 1/20 0.34
FTO Q9C0B1 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
MYC P01106 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
SCHEMBL874639 0.78 KMT2A (0.38) KMT2AALDH1A1MAPTMEN1CASP3
SCHEMBL874638 0.78 KMT2A (0.38) KMT2AALDH1A1MAPTMEN1CASP3
SCHEMBL29383903 0.76 PPARA (0.52) KMT2AALDH1A1MAPTMEN1CASP3
SCHEMBL3292333 0.76 PPARA (0.41) KMT2AALDH1A1MAPTMEN1CASP3
SCHEMBL111613 0.76 PPARA (0.52) KMT2AALDH1A1MAPTMEN1CASP3
SCHEMBL3295387 0.76 PPARA (0.41) KMT2AALDH1A1MAPTMEN1CASP3
SCHEMBL3295384 0.76 PPARA (0.41) KMT2AALDH1A1MAPTMEN1CASP3
SCHEMBL5146714 0.76 PPARA (0.41) KMT2AALDH1A1MAPTMEN1CASP3
SCHEMBL111612 0.76 PPARA (0.52) KMT2AALDH1A1MAPTMEN1CASP3
SCHEMBL28208220 0.75 ALDH1A1 (0.44) KMT2AALDH1A1MAPTMEN1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-11975110-B2 Cationic polymers TRANSLATE BIO, INC. (US) 2024-05-07 US 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-20210113483-A1 Cationic Polymers TRANSLATE BIO, INC. 2021-04-22 US disclosed
EP-3746496-A1 CATIONIC POLYMERS Translate Bio, Inc. (US) 2020-12-09 EP disclosed
EP-2177522-A1 NOVEL CARBAPENEM DERIVATIVES KBP Biosciences Co., Ltd. (CN) 2010-04-21 EP disclosed
US-20090149478-A1 NOVEL COMBINATION ANTICANCER AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA 2009-06-11 US disclosed
US-20090118271-A1 Preventive or Therapeutic Agents for Pancreatic Cancer, Ovarian Cancer, or Liver Cancer Comprising a Novel Water-Soluble Prodrug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-05-07 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
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-20090149478-A1 NOVEL COMBINATION ANTICANCER AGENTS KRAS, TOP1, ERBB3 KMT2A 1852/4885ALDH1A1 495/4885MAPT 4153/4885
US-20210113483-A1 Cationic Polymers NSUN3, RNMT, POLRMT KMT2A 2084/4885ALDH1A1 3420/4885MAPT 1251/4885
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 692/4885ALDH1A1 1668/4885MAPT 3906/4885
US-11999757-B2 Synthesis of boronate ester derivatives and uses thereof ADH5, ADH1A, ADH7 KMT2A 3000/4885ALDH1A1 69/4885MAPT 4170/4885
US-20080015157-A1 Novel Water-Soluble Prodrugs ADH1A, ADH1C, SLC43A1 KMT2A 3780/4885ALDH1A1 142/4885MAPT 3789/4885
US-11975110-B2 Cationic polymers NSUN3, RNMT, POLRMT KMT2A 2084/4885ALDH1A1 3420/4885MAPT 1251/4885
US-20090118271-A1 Preventive or Therapeutic Agents for Pancreatic Cancer, Ovarian Cancer, or Liver Cancer Comprising a Novel Water-Soluble Prodrug TP53, SLC10A1, BRCA1 KMT2A 3791/4885ALDH1A1 429/4885MAPT 4575/4885

“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.