SCHEMBL94922

SCHEMBL94922

[CH2]c1ncc(C)c(OC)c1C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.50
HSP90AA1 P07900 10/20 0.36
HSP90AB1 P08238 7/20 0.36
TRAP1 Q12931 2/20 0.36
HSP90B1 P14625 1/20 0.36
PDE10A Q9Y233 2/20 0.34
CYP2C9 P11712 1/20 0.34
SHMT2 P34897 1/20 0.33
ATP4A P20648 1/20 0.33
ATP4B P51164 1/20 0.33
WDR5 P61964 1/20 0.33
KMT2A Q03164 1/20 0.33
BRS3 P32247 1/20 0.33
DDAH1 O94760 1/20 0.33
SARM1 Q6SZW1 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
ENGASE Q8NFI3 1/20 0.33
DHFR P00374 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
SCHEMBL13879692 0.78 AGXT (0.55) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL94923 0.77 AGXT (0.53) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL29736023 0.76 AGXT (0.52) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
Hydrochloric Acid SCHEMBL28303939 0.76 AGXT (0.52) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL29039529 0.76 AGXT (0.52) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL7845798 0.76 AGXT (0.52) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL10653408 0.75 AGXT (0.34) AGXT
SCHEMBL7950467 0.74 AGXT (0.50) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL28917401 0.74 AGXT (0.50) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL10025208 0.72 AGXT (0.49) AGXTHSP90AA1HSP90AB1TRAP1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
CN-102098918-A Bioactive compounds for treatment of cancer and neurodegenerative diseases PONIARD PHARMACEUTICALS INC 2011-06-15 CN claimed
EP-2273882-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES Poniard Pharmaceuticals, Inc. (US) 2011-01-19 EP claimed
WO-2009139834-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. (US) 2009-11-19 WO claimed
EP-1556370-B1 METHOD FOR THE SYNTHESIS OF A BENZIMIDAZOLE COMPOUND ASTRAZENECA AB (SE) 2008-06-11 EP claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 CN disclosed
US-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE 2019-04-25 US disclosed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-19 US disclosed
EP-3051946-B1 USE OF SUBSTITUTED DIHYDROOXINDOLYLSULFONAMIDES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AG (DE) 2017-11-29 EP disclosed
EP-2606031-B1 AUTOTAXIN INHIBITORS AND USES THEREOF AMIRA PHARMACEUTICALS INC (US) 2017-09-27 EP disclosed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
EP-1363901-A4 PROCESSES FOR THE PRODUCTION OF SUBSTITUTED 2-(2-PYRIDYLMETHYL) SULFINYL-1H-BENZIMIDAZOLES TEVA PHARMA (IL) 2005-08-31 EP disclosed
EP-1363901-A1 PROCESSES FOR THE PRODUCTION OF SUBSTITUTED 2-(2-PYRIDYLMETHYL) SULFINYL-1H-BENZIMIDAZOLES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-11-26 EP disclosed
WO-2002062786-A1 PROCESSES FOR THE PRODUCTION OF SUBSTITUTED 2-(2-PYRIDYLMETHYL) SULFINYL-1H-BENZIMIDAZOLES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2002-08-15 WO disclosed
US-5670526-A ANTIINFLAMMATORY AGENT, IMMUNOSUPPRESSANT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 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 (4 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-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 AGXT 3755/4885HSP90AA1 4/4885HSP90AB1 3/4885
US-20190119212-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS AHR, PAH, DOHH AGXT 2288/4885HSP90AA1 2570/4885HSP90AB1 3504/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 AGXT 3425/4885HSP90AA1 4109/4885HSP90AB1 4309/4885
US-20180199575-A1 SUBSTITUTED OXOTETRAHYDROQUINOLINYLPHOSPHINIC ACID AND PHOSPHINIC ACID AMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS PPA1, PHOSPHO1, PIP4K2C AGXT 86/4885HSP90AA1 1730/4885HSP90AB1 2266/4885

“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.