SCHEMBL1408045

SCHEMBL1408045

O=C(Nc1cccc(C#Cc2cccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3c(F)cc(F)cc3F)c2)c1)N1CCCC(CO)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
PAX8 Q06710 5/20 0.38
NR1H2 P55055 7/20 0.37
NR1H3 Q13133 7/20 0.37
NR1I2 O75469 2/20 0.37
NR3C1 P04150 2/20 0.37
CCR3 P51677 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
AR P10275 1/20 0.36
RXRA P19793 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 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
SCHEMBL1407798 0.92 EPHX2 (0.38) EPHX2PAX8NR1H2NR1H3NR1I2
SCHEMBL1407290 0.88 LMNA (0.42) EPHX2NR1H2NR1H3NR1I2NR3C1
SCHEMBL1407826 0.86 NR1H2 (0.40) NR1H2NR1H3NR1I2NR3C1MAPT
SCHEMBL1407515 0.85 ALDH1A1 (0.41) EPHX2NR1H2NR1H3NR1I2NR3C1
SCHEMBL3863906 0.84 NR1H2 (0.46) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3858344 0.83 MAPT (0.39) NR1H2NR1H3NR1I2NR3C1MAPT
SCHEMBL1407353 0.82 NR1H2 (0.44) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407727 0.82 NR1H2 (0.42) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407686 0.82 NR1H2 (0.43) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408137 0.80 NR1H2 (0.44) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592363-B2 Indazoles WYETH (US) 2009-09-22 US claimed
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
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 EPHX2 1157/4885PAX8 4854/4885NR1H2 1/4885

“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.