SCHEMBL1125098

SCHEMBL1125098

COc1ccc(C(=O)c2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.81
NR1H3 Q13133 18/20 0.81
ALDH1A1 P00352 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTT P42858 1/20 0.67

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
SCHEMBL1124448 0.96 NR1H2 (0.81) NR1H2NR1H3ALDH1A1CYP1A2CYP3A4
SCHEMBL1124681 0.90 NR1H2 (1.00) NR1H2NR1H3ALDH1A1HTT
SCHEMBL1124578 0.90 NR1H2 (0.78) NR1H2NR1H3
SCHEMBL6368638 0.90 NR1H2 (0.78) NR1H2NR1H3ALDH1A1CYP1A2CYP3A4
SCHEMBL1125525 0.88 NR1H2 (0.87) NR1H2NR1H3ALDH1A1HPGDHTT
SCHEMBL1125528 0.88 NR1H2 (0.87) NR1H2NR1H3ALDH1A1HTT
SCHEMBL1125727 0.88 NR1H2 (0.87) NR1H2NR1H3ALDH1A1CYP1A2CYP3A4
SCHEMBL1125873 0.88 NR1H2 (0.87) NR1H2NR1H3ALDH1A1CYP1A2CYP3A4
SCHEMBL1124692 0.88 NR1H2 (0.95) NR1H2NR1H3ALDH1A1HTT
SCHEMBL1125927 0.87 NR1H2 (0.85) NR1H2NR1H3ALDH1A1CYP1A2CYP3A4

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 11 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 claimed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US claimed
JP-2007516258-A 2007-06-21 JP claimed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP claimed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO claimed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US claimed
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 2/4885ALDH1A1 1202/4885

“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.