SCHEMBL2004728

SCHEMBL2004728

Oc1c(Cl)ccc2c1cnn2-c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.41
ERN1 O75460 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
S1PR5 Q9H228 2/20 0.38
GRM1 Q13255 1/20 0.38
PTGER1 P34995 1/20 0.37
CCR1 P32246 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NOTUM Q6P988 1/20 0.37
RHEB Q15382 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL2005842 0.91 ERN1 (0.41) MAPK14ERN1MRGPRX4S1PR5PTGER1
SCHEMBL2007056 0.88 MAPK14 (0.47) MAPK14MRGPRX4S1PR5GRM1PTGER1
SCHEMBL2003916 0.84 S1PR5 (0.40) MAPK14ERN1MRGPRX4S1PR5PTGER1
SCHEMBL2006708 0.84 MRGPRX4 (0.40) MAPK14ERN1MRGPRX4S1PR5PTGER1
SCHEMBL2006258 0.83 NR3C1 (0.41) MAPK14MRGPRX4S1PR5PTGER1CCR1
SCHEMBL2008499 0.82 MAPK14 (0.46) MAPK14ERN1MRGPRX4S1PR5PTGER1
SCHEMBL2004763 0.81 S1PR5 (0.39) MAPK14ERN1MRGPRX4S1PR5MAPT
SCHEMBL14085312 0.80 CYP11B1 (0.42) MAPK14MRGPRX4S1PR5RXFP1MAPT
SCHEMBL2003613 0.80 MAPK14 (0.44) MAPK14MRGPRX4S1PR5PTGER1CCR1
SCHEMBL2013480 0.80 MRGPRX4 (0.40) MAPK14ERN1MRGPRX4S1PR5PTGER1

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 9 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 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 MAPK14 3632/4885ERN1 1705/4885MRGPRX4 292/4885

“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.