SCHEMBL5247686

SCHEMBL5247686

FC(F)(F)c1cccc2c(-c3ccccc3)n(-c3ccccc3)nc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.61
NR1H3 Q13133 13/20 0.61
NR1I2 O75469 2/20 0.48
NR3C1 P04150 2/20 0.48
PTGS1 P23219 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AR P10275 1/20 0.43
RXRA P19793 1/20 0.43
ESR1 P03372 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL27730635 0.82 NR1H2 (0.47) NR1H2NR1H3NR1I2NR3C1ALDH1A1
SCHEMBL1407223 0.81 NR1H2 (0.49) NR1H2NR1H3NR1I2NR3C1ALDH1A1
SCHEMBL31268513 0.77 CYP2C9 (0.44) NR1H2NR1H3ALDH1A1NPSR1CYP1A2
SCHEMBL1407219 0.76 NR1H3 (1.00) NR1H2NR1H3NR1I2NR3C1ALDH1A1
SCHEMBL1407111 0.75 NR1H2 (0.82) NR1H2NR1H3NR1I2NR3C1ALDH1A1
SCHEMBL1407311 0.75 MAPT (0.45) NR1H2NR1H3ALDH1A1LMNANPSR1
SCHEMBL3864397 0.74 NR1H3 (0.95) NR1H2NR1H3NR1I2NR3C1ALDH1A1
SCHEMBL1407764 0.74 NR1H2 (0.77) NR1H2NR1H3NR1I2NR3C1AR
SCHEMBL1407324 0.72 NR1H2 (0.75) NR1H2NR1H3NR1I2NR3C1ALDH1A1
SCHEMBL3862965 0.72 NR1H2 (0.73) NR1H2NR1H3NR1I2NR3C1ALDH1A1

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 3 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

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.