SCHEMBL1125977

SCHEMBL1125977

COc1cccc(NC(=O)c2cnc3c(C(F)(F)F)cccc3c2-c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.59
NR1H3 Q13133 11/20 0.59
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
TRPV1 Q8NER1 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK13 O15264 1/20 0.50
PIM1 P11309 1/20 0.50

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
SCHEMBL1124348 0.89 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL1124906 0.87 NR1H2 (0.62) NR1H2NR1H3GAA
SCHEMBL1124882 0.87 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL1124993 0.87 NR1H2 (0.62) NR1H2NR1H3
SCHEMBL1125218 0.86 NR1H2 (0.61) NR1H2NR1H3MAPT
SCHEMBL1125809 0.86 NR1H2 (0.67) NR1H2NR1H3
SCHEMBL1124818 0.85 NR1H2 (0.64) NR1H2NR1H3MAPT
SCHEMBL1125188 0.85 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL1124682 0.84 NR1H2 (0.61) NR1H2NR1H3KDM4EGAAMAPT
SCHEMBL6368638 0.83 NR1H2 (0.78) NR1H2NR1H3

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 7 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
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 2/4885KDM4E 1840/4885

“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.