SCHEMBL1125076

SCHEMBL1125076

COc1ccc(Oc2cccc(C(=O)c3cccc(C(F)(F)F)c3F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
RAF1 P04049 2/20 0.44
STS P08842 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK10 P53779 2/20 0.42
PGR P06401 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP2C8 P10632 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
AR P10275 1/20 0.41
NR1H2 P55055 1/20 0.41

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
SCHEMBL1124561 0.91 MAOB (0.54) MAOBSTSMAPTLMNAGAA
SCHEMBL1125082 0.87 MAPT (0.48) MAOBRAF1STSMAPTLMNA
SCHEMBL1407322 0.86 KMT2A (0.52) MAOBMAPTLMNARAB9AALDH1A1
SCHEMBL3509598 0.78 MAPT (0.54) MAOBSTSMAPTLMNAGAA
SCHEMBL1407535 0.77 NPC1 (0.52) MAPTLMNAGAARAB9ATSHR
SCHEMBL1408466 0.77 LMNA (0.45) MAOBMAPTLMNAGAARAB9A
SCHEMBL29941229 0.74 KAT6A (0.52) MAPTLMNAGAAALDH1A1NR1H2
SCHEMBL1125117 0.74 KAT6A (0.52) MAPTLMNAGAAALDH1A1NR1H2
SCHEMBL3505889 0.74 HDAC8 (0.44) MAPTLMNAGAARAB9AALDH1A1
SCHEMBL7479627 0.74 KMT2A (0.60) MAOBMAPTLMNARAB9AALDH1A1

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 MAOB 2151/4885RAF1 2369/4885STS 2541/4885

“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.