SCHEMBL1035936

SCHEMBL1035936

Cc1noc(C)c1-c1c(C(N)=NO)c2c(F)cccc2n1-c1ccc(O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.34
FTO Q9C0B1 1/20 0.34
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
ERN1 O75460 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL2310542 1.00 BRD4 (0.34) BRD4FTOBRD2BRD3ERN1
SCHEMBL1077881 0.88 ALOX15 (0.37) BRD4FTOBRD2BRD3ALDH1A1
SCHEMBL1077878 0.88 ALOX15 (0.37) BRD4FTOBRD2BRD3ALDH1A1
SCHEMBL2311182 0.88 BRD4 (0.34) BRD4FTOBRD2BRD3ERN1
SCHEMBL2313824 0.88 BRD4 (0.34) BRD4FTOBRD2BRD3ERN1
SCHEMBL1077451 0.84
SCHEMBL1077448 0.84
SCHEMBL1077136 0.84 HSP90AA1 (0.33)
SCHEMBL1035934 0.84 FTO (0.35) BRD4FTOBRD2BRD3ERN1
SCHEMBL1077142 0.84 HSP90AA1 (0.33)

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 10 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-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-A1 ESTROGEN RECEPTOR LIGAND TREATMENT FOR NEURODEGENERATIVE DISEASES The Regents of The University of California (US) 2021-02-24 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20130131061-A1 Novel Estrogen Receptor Ligands ESR1, GPER1, ESRRA BRD4 713/4885FTO 4275/4885BRD2 2356/4885
US-20110190294-A1 NOVEL ESTROGEN RECEPTOR LIGANDS ESR1, GPER1, ESRRA BRD4 628/4885FTO 4199/4885BRD2 2332/4885

“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.