SCHEMBL1125577

SCHEMBL1125577

Cc1nc2c(C(F)(F)F)cccc2c(-c2ccccc2)c1-c1cccc(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
BRD4 O60885 1/20 0.48
NR1H2 P55055 14/20 0.44
NR1H3 Q13133 14/20 0.44
ENPP1 P22413 2/20 0.42
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4262883 0.80 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL3283113 0.77 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL4259266 0.77 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL1124492 0.75 NR1H2 (0.78) NR1H2NR1H3
SCHEMBL1125943 0.73 GAA (0.64) ESR1NR1H2NR1H3
SCHEMBL6024428 0.73 ESR1 (0.51) ESR1NR1H2NR1H3ENPP1ALDH1A1
SCHEMBL4260822 0.72 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL10311175 0.71 ESR1 (0.48) ESR1NR1H2NR1H3ALDH1A1L3MBTL1
SCHEMBL27673922 0.71 NR1H2 (0.60) ESR1NR1H2NR1H3
SCHEMBL3279687 0.71 NR1H2 (0.41) ESR1BRD4NR1H2NR1H3ENPP1

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 5 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
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 ESR1 1638/4885BRD4 116/4885NR1H2 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.