SCHEMBL1124887

SCHEMBL1124887

O=C(Nc1cccc(-c2c(-c3ccccc3C(F)(F)F)cnc3c(C(F)(F)F)cccc23)c1)Nc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.52
NR1H3 Q13133 14/20 0.52
KDR P35968 2/20 0.51
TP53 P04637 1/20 0.47
TRPV1 Q8NER1 1/20 0.45
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
RIPK1 Q13546 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1124618 0.94 NR1H2 (0.50) NR1H2NR1H3KDRTP53TRPV1
SCHEMBL1125593 0.94 NR1H2 (0.59) NR1H2NR1H3KDRTP53TRPV1
SCHEMBL1125274 0.88 NR1H2 (0.55) NR1H2NR1H3KDRNPC1LMNA
SCHEMBL1126089 0.86 NR1H2 (0.59) NR1H2NR1H3KDRTP53TRPV1
SCHEMBL1126074 0.85 NR1H2 (0.66) NR1H2NR1H3
SCHEMBL1125592 0.84 NR1H2 (0.64) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124922 0.84 NR1H2 (0.51) NR1H2NR1H3KDRTP53PPARG
SCHEMBL1125645 0.84 NR1H2 (0.67) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3851387 0.84 NR1H2 (0.60) NR1H2NR1H3KDRTP53PPARG
SCHEMBL1124653 0.83 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA

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 2/4885KDR 2318/4885

“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.