SCHEMBL1124561

SCHEMBL1124561

COc1cccc(C(=O)c2cccc(C(F)(F)F)c2F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
NPSR1 Q6W5P4 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
CYP2C8 P10632 1/20 0.48
PARP1 P09874 1/20 0.48
RXFP1 Q9HBX9 2/20 0.47
NPC1 O15118 2/20 0.47
STS P08842 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL1125076 0.91 MAOB (0.46) MAOBNPSR1CES2CES1TSHR
SCHEMBL1407322 0.86 KMT2A (0.52) MAOBNPSR1RAB9ALMNAMAPT
SCHEMBL3509598 0.85 MAPT (0.54) MAOBNPSR1CES2CES1TSHR
SCHEMBL1408466 0.82 LMNA (0.45) MAOBNPSR1RAB9ALMNAMAPT
SCHEMBL1407535 0.82 NPC1 (0.52) NPSR1TSHRRAB9ALMNAMAPT
SCHEMBL1125117 0.79 KAT6A (0.52) LMNAMAPTGAASMN1; SMN2POLB
SCHEMBL29941229 0.79 KAT6A (0.52) LMNAMAPTGAASMN1; SMN2POLB
SCHEMBL3505889 0.79 HDAC8 (0.44) RAB9ALMNAMAPTGAAPARP1
SCHEMBL17842222 0.79 RAB9A (0.59) NPSR1CES2CES1TSHRRAB9A
SCHEMBL1125082 0.78 MAPT (0.48) MAOBRAB9ALMNAMAPTGAA

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 2151/4885NPSR1 1030/4885CES2 644/4885

“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.