SCHEMBL2006080

SCHEMBL2006080

Oc1c(F)cc(-n2ncc3c(O)cccc32)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.46
CYP11B1 P15538 3/20 0.46
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP17A1 P05093 2/20 0.38
CYP1A2 P05177 2/20 0.38
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
CCR1 P32246 6/20 0.36
SCN9A Q15858 4/20 0.35
SCN5A Q14524 1/20 0.34
PARP15 Q460N3 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4448983 0.89 CYP11B1 (0.41) CYP11B2CYP11B1CYP3A4CYP2D6CYP19A1
SCHEMBL2008964 0.87 CYP11B1 (0.45) CYP11B2CYP11B1CYP3A4CYP2D6CYP19A1
SCHEMBL4113695 0.81 CYP17A1 (0.54) CYP11B2CYP11B1CYP17A1CYP1A2NR3C1
SCHEMBL27799392 0.79 CYP1A2 (0.51) CYP11B2CYP11B1CYP17A1CYP1A2NR3C1
SCHEMBL2006806 0.78 NR3C1 (0.42) CYP11B2CYP11B1CYP3A4CYP2D6CYP19A1
SCHEMBL19051717 0.75 CYP17A1 (0.45) CYP11B2CYP11B1CYP17A1CYP1A2NR3C1
SCHEMBL2007798 0.75 CCR1 (0.41) CYP11B2CYP11B1CYP3A4CYP2D6CYP19A1
SCHEMBL2008736 0.75 CYP11B1 (0.46) CYP11B2CYP11B1CYP3A4CYP2D6CYP19A1
SCHEMBL25274445 0.75 XDH (0.47) CYP11B2CYP11B1CYP3A4CYP2D6CYP19A1
SCHEMBL30481229 0.75 XDH (0.47) CYP11B2CYP11B1CYP3A4CYP2D6CYP19A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960563-B2 Indazoles used to treat estrogen receptor beta mediated disorders GLAXO GROUP LIMITED (GB) 2011-06-14 US claimed
US-20100087502-A1 Indazoles Used To Treat Estrogen Receptor Beta Mediated Disorders GLAXO GROUP LIMITED (GB) 2010-04-08 US claimed
US-7960563-B2 Indazoles used to treat estrogen receptor beta mediated disorders GLAXO GROUP LIMITED (GB) 2011-06-14 US disclosed
US-7960563-B2 Indazoles used to treat estrogen receptor beta mediated disorders GLAXO GROUP LIMITED (GB) 2011-06-14 US disclosed
US-7960563-B2 Indazoles used to treat estrogen receptor beta mediated disorders GLAXO GROUP LIMITED (GB) 2011-06-14 US disclosed
US-20100087502-A1 Indazoles Used To Treat Estrogen Receptor Beta Mediated Disorders GLAXO GROUP LIMITED (GB) 2010-04-08 US disclosed
US-20100087502-A1 Indazoles Used To Treat Estrogen Receptor Beta Mediated Disorders GLAXO GROUP LIMITED (GB) 2010-04-08 US disclosed
US-20100087502-A1 Indazoles Used To Treat Estrogen Receptor Beta Mediated Disorders GLAXO GROUP LIMITED (GB) 2010-04-08 US disclosed
EP-2118068-A1 INDAZOLES USED TO TREAT ESTROGEN RECEPTOR BETA MEDIATED DISORDERS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
WO-2008107455-A1 INDAZOLES USED TO TREAT ESTROGEN RECEPTOR BETA MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-09-12 WO disclosed
WO-2008107455-A1 INDAZOLES USED TO TREAT ESTROGEN RECEPTOR BETA MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2008-09-12 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 (1 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-20100087502-A1 Indazoles Used To Treat Estrogen Receptor Beta Mediated Disorders GPER1, ESR2, ESRRB CYP11B2 14/4885CYP11B1 20/4885CYP3A4 100/4885

“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.