SCHEMBL3858558

SCHEMBL3858558

COc1cccc(COc2ccc(-c3c4cccc(C(F)(F)F)c4nn3Cc3ccccc3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.67
NR1H3 Q13133 14/20 0.67
NR1I2 O75469 2/20 0.50
NR3C1 P04150 2/20 0.50
AR P10275 1/20 0.50
RXRA P19793 1/20 0.50
ESR1 P03372 1/20 0.45
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL3859172 0.93 NR1H2 (0.67) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3863717 0.91 NR1H2 (0.77) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3864764 0.90 NR1H2 (0.68) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL27710178 0.90 NR1H2 (0.68) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL3882112 0.90 NR1H2 (0.68) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408148 0.90 NR1H2 (0.68) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407161 0.89 NR1H2 (0.77) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407336 0.89 NR1H2 (0.80) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408088 0.89 NR1H2 (0.67) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1408028 0.89 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 4 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

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.