SCHEMBL1124682

SCHEMBL1124682

COc1ccccc1NC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.61
NR1H3 Q13133 8/20 0.61
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 1/20 0.52
PIM1 P11309 1/20 0.48
LIMK1 P53667 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL1125005 0.87 NR1H2 (0.64) NR1H2NR1H3RXFP1
SCHEMBL1125328 0.86 NR1H2 (0.63) NR1H2NR1H3RXFP1
SCHEMBL1125977 0.84 NR1H2 (0.59) NR1H2NR1H3MAPTKDM4EPIM1
SCHEMBL1124348 0.84 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL1125087 0.83 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL1124818 0.82 NR1H2 (0.64) NR1H2NR1H3MAPTLMNAKMT2A
SCHEMBL6024425 0.82 NR1H2 (0.76) NR1H2NR1H3
SCHEMBL1125863 0.81 NR1H2 (0.64) NR1H2NR1H3NPC1
SCHEMBL1125604 0.81 NR1H2 (0.64) NR1H2NR1H3NPC1
SCHEMBL1124382 0.80 NR1H2 (0.63) NR1H2NR1H3LMNAL3MBTL1

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 NR1H2 1/4885NR1H3 2/4885MAPT 4520/4885

“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.