SCHEMBL1124908

SCHEMBL1124908

FC(F)(F)c1cccc2c(Br)c(-c3ccccc3)cnc12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.51
NR1H3 Q13133 16/20 0.51
PARP1 P09874 1/20 0.42
ESR1 P03372 1/20 0.42
ENPP1 P22413 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
SCHEMBL1125010 0.87 CYP2D6 (0.43) NR1H2NR1H3PARP1
SCHEMBL1125505 0.84 NR1H2 (0.64) NR1H2NR1H3ESR1ENPP1
SCHEMBL3850564 0.83 NR1H2 (0.41) NR1H2NR1H3PARP1
SCHEMBL1124193 0.82 NR1H2 (0.54) NR1H2NR1H3PARP1ESR1
SCHEMBL35203 0.78 NR1H2 (0.48) NR1H2NR1H3PARP1
SCHEMBL27654067 0.78 PARP1 (0.39) NR1H2NR1H3PARP1
SCHEMBL1125229 0.77 NR1H2 (0.43) NR1H2NR1H3PARP1ESR1
SCHEMBL1125326 0.77 NR1H2 (0.47) NR1H2NR1H3PARP1ENPP1
SCHEMBL1124136 0.76 NR1H2 (0.54) NR1H2NR1H3
SCHEMBL1124361 0.76 NR1H3 (0.47) NR1H2NR1H3PARP1

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
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 NR1H2 1/4885NR1H3 2/4885PARP1 1858/4885

“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.