SCHEMBL1408181

SCHEMBL1408181

O=C1CCCc2c(Oc3ccc(-c4c5cccc(C(F)(F)F)c5nn4Cc4ccccc4)cc3)cccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.58
NR1H3 Q13133 14/20 0.58
NR1I2 O75469 2/20 0.47
NR3C1 P04150 2/20 0.47
AR P10275 1/20 0.45
RXRA P19793 1/20 0.45
ESR1 P03372 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
BRD4 O60885 1/20 0.34
BRAF P15056 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL1415245 0.92 NR1H3 (0.56) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408107 0.87 NR1H2 (0.64) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407959 0.83 NR1H2 (0.71) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407918 0.82 NR1H2 (0.69) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408247 0.81 NR1H2 (0.71) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408014 0.81 NR1H2 (0.71) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408324 0.81 NR1H2 (0.71) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407317 0.81 NR1H2 (0.71) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407445 0.81 NR1H2 (0.80) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408005 0.81 NR1H2 (0.69) NR1H2NR1H3NR1I2NR3C1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP claimed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO claimed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 US claimed
EP-2295429-A1 3-((hetero)aryl)-indazoles as Liver X receptor (LXR) and Th-1 inhibitors for the treatment of cardiovascular diseases Wyeth LLC (US) 2011-03-16 EP disclosed
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US disclosed
EP-1773781-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES Wyeth (US) 2007-04-18 EP disclosed
WO-2006017384-A2 INDAZOLES USEFUL IN TREATING CARDIOVASCULAR DISEASES WYETH (US) 2006-02-16 WO disclosed
US-20060030612-A1 Indazoles useful in treating cardiovascular diseases WYETH (US) 2006-02-09 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 (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-20060030612-A1 Indazoles useful in treating cardiovascular diseases NR1H2, NR1H3, CYP46A1 NR1H2 1/4885NR1H3 2/4885NR1I2 6/4885

“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.