SCHEMBL3857923

SCHEMBL3857923

Oc1cccnc1C#Cc1cccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2c(F)cc(F)cc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.45
NR1H3 Q13133 13/20 0.45
NR3C1 P04150 3/20 0.45
NR1I2 O75469 2/20 0.45
AR P10275 1/20 0.45
RXRA P19793 1/20 0.45
RORC P51449 4/20 0.35
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TNF P01375 1/20 0.31
CXCL8 P10145 1/20 0.31
KMT2A Q03164 1/20 0.31
PAX8 Q06710 1/20 0.31
KLF5 Q13887 1/20 0.31

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
SCHEMBL1407614 0.88 NR1H2 (0.44) NR1H2NR1H3NR3C1NR1I2AR
SCHEMBL1407273 0.86 NR1H2 (0.51) NR1H2NR1H3NR3C1NR1I2AR
SCHEMBL1407648 0.85 NR1H2 (0.53) NR1H2NR1H3NR3C1NR1I2AR
SCHEMBL1407478 0.85 NR1H2 (0.48) NR1H2NR1H3NR3C1NR1I2AR
SCHEMBL1407493 0.85 NR1H2 (0.50) NR1H2NR1H3NR3C1NR1I2AR
SCHEMBL1407370 0.84 NR1H2 (0.52) NR1H2NR1H3NR3C1NR1I2AR
SCHEMBL1407577 0.83 NR1H2 (0.52) NR1H2NR1H3NR3C1NR1I2AR
SCHEMBL1407295 0.82 NR1H2 (0.48) NR1H2NR1H3NR3C1NR1I2AR
SCHEMBL1407124 0.82 NR1H2 (0.54) NR1H2NR1H3NR3C1NR1I2AR
SCHEMBL3859516 0.81 NR1H2 (0.46) NR1H2NR1H3NR3C1NR1I2AR

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 6 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
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 NR1H2 1/4885NR1H3 2/4885NR3C1 232/4885

“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.