SCHEMBL1076429

SCHEMBL1076429

Cc1ccnn1-c1c(C(N)=NO)c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.33
ESR1 P03372 4/20 0.33
GRM1 Q13255 1/20 0.33
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
USP14 P54578 2/20 0.31
CHEK1 O14757 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
CDK2 P24941 1/20 0.31
CSNK2A1 P68400 1/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
CACNG2 Q9Y698 1/20 0.31

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
SCHEMBL2315107 1.00 ESR2 (0.33) ESR2ESR1GRM1CYP2C9ALDH1A1
SCHEMBL1077441 0.83 GAA (0.35) ESR2ESR1CYP2C9ALDH1A1GAA
SCHEMBL1077437 0.83 GAA (0.35) ESR2ESR1CYP2C9ALDH1A1GAA
SCHEMBL1076427 0.81 CYP2C9 (0.34) ESR2ESR1GRM1CYP2C9ALDH1A1
SCHEMBL1077103 0.81 ESR1 (0.36) ESR2ESR1CYP2C9ALDH1A1GAA
SCHEMBL1077446 0.81 ESR1 (0.36) ESR2ESR1CYP2C9ALDH1A1GAA
SCHEMBL1076983 0.77 GAA (0.39) ESR2ESR1GAAGFERUSP14
SCHEMBL1077930 0.77 GAA (0.39) ESR2ESR1GAAGFERUSP14
SCHEMBL2313417 0.77 KDM4E (0.37) ESR2ESR1GRM1CYP2C9ALDH1A1
SCHEMBL1076872 0.74 KDM4E (0.35) ESR2ESR1ALDH1A1GAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP claimed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US claimed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US claimed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US claimed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US claimed
EP-3782616-B1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES UNIV CALIFORNIA (US) 2023-11-01 EP disclosed
US-11628146-B2 Estrogen receptor ligand treatment for neurodegenerative diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-04-18 US disclosed
EP-3782616-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES The Regents of The University of California (US) 2021-02-24 EP disclosed
US-20210008002-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 US disclosed
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-09-01 US disclosed
EP-3189026-B1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES UNIV CALIFORNIA (US) 2020-07-22 EP disclosed
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-26 US disclosed
WO-2016036721-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-10 WO disclosed
EP-2276732-B1 NOVEL ESTROGEN RECEPTOR LIGANDS KAROBIO AB (SE) 2015-05-20 EP disclosed
US-8653072-B2 Estrogen receptor ligands KARO BIO AB (SE) 2014-02-18 US disclosed
US-20130131061-A1 Novel Estrogen Receptor Ligands KARO BIO AB (SE) 2013-05-23 US disclosed
US-8367665-B2 Estrogen receptor ligands KARO BIO AB (SE) 2013-02-05 US disclosed
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS OASMIA PHARMACEUTICAL AB (SE) 2011-08-04 US disclosed
EP-2276732-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-01-26 EP disclosed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-22 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 (6 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-20210008002-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 ESR2 1/4885ESR1 3/4885GRM1 44/4885
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 ESR2 1/4885ESR1 3/4885GRM1 44/4885
US-11628146-B2 Estrogen receptor ligand treatment for neurodegenerative diseases ESR2, ESRRG, ESR1 ESR2 1/4885ESR1 3/4885GRM1 44/4885
US-20130131061-A1 Novel Estrogen Receptor Ligands ESR1, GPER1, ESRRA ESR2 4/4885ESR1 1/4885GRM1 473/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA ESR2 4/4885ESR1 1/4885GRM1 459/4885
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases ESR2, ESRRG, ESR1 ESR2 1/4885ESR1 3/4885GRM1 44/4885

“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.