SCHEMBL1077418

SCHEMBL1077418

Cc1noc(C)c1-c1c(C(N)=NO)c2cc(F)ccc2n1-c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
PIK3CD O00329 1/20 0.38
BRD4 O60885 7/20 0.35
NSD3 Q9BZ95 1/20 0.34
LMNA P02545 3/20 0.33
USP2 O75604 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
BTK Q06187 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1077413 1.00 PTGDR2 (0.39) PTGDR2PIK3CDBRD4NSD3LMNA
SCHEMBL1078050 0.92 PIK3CD (0.36) PTGDR2PIK3CDBRD4NSD3LMNA
SCHEMBL1078054 0.92 PIK3CD (0.36) PTGDR2PIK3CDBRD4NSD3LMNA
SCHEMBL1076509 0.88 PTGDR2 (0.40) PTGDR2PIK3CDBRD4NSD3LMNA
SCHEMBL1076940 0.88 PTGDR2 (0.44) PTGDR2PIK3CDBRD4NSD3LMNA
SCHEMBL1077417 0.86 ESR1 (0.38) BRD4LMNAUSP2CYP1A2CYP2C19
SCHEMBL1077420 0.86 ESR1 (0.38) BRD4LMNAUSP2CYP1A2CYP2C19
SCHEMBL1667683 0.83 BRD4 (0.34) BRD4NSD3LMNACYP1A2CYP2C19
SCHEMBL1667686 0.83 BRD4 (0.34) BRD4NSD3LMNACYP1A2CYP2C19
SCHEMBL1077416 0.83 PTGDR2 (0.39) PTGDR2PIK3CDBRD4NSD3LMNA

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 18 patents. 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-2276732-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-01-26 EP claimed
WO-2009127686-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2009-10-22 WO 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
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
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

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 PTGDR2 536/4885PIK3CD 4424/4885BRD4 1609/4885
US-20170304216-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES ESR2, ESRRG, ESR1 PTGDR2 536/4885PIK3CD 4424/4885BRD4 1609/4885
US-11628146-B2 Estrogen receptor ligand treatment for neurodegenerative diseases ESR2, ESRRG, ESR1 PTGDR2 536/4885PIK3CD 4424/4885BRD4 1609/4885
US-20130131061-A1 Novel Estrogen Receptor Ligands ESR1, GPER1, ESRRA PTGDR2 370/4885PIK3CD 3789/4885BRD4 713/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA PTGDR2 398/4885PIK3CD 3760/4885BRD4 628/4885
US-10758496-B2 Estrogen receptor ligand treatment for neurodegenerative diseases ESR2, ESRRG, ESR1 PTGDR2 536/4885PIK3CD 4424/4885BRD4 1609/4885

“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.