SCHEMBL1124399

SCHEMBL1124399

CCOC(=O)C(=CNc1ccc(F)cc1C(F)(F)F)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.48
DHODH Q02127 2/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 5/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 5/20 0.41
ALDH1A1 P00352 1/20 0.41
STAT1 P42224 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL1124398 1.00 NPSR1 (0.48) NPSR1DHODHGAALMNAKDM4E
SCHEMBL995706 0.88 DHODH (0.56) NPSR1DHODHGAALMNAKDM4E
SCHEMBL995708 0.88 DHODH (0.56) NPSR1DHODHGAALMNAKDM4E
SCHEMBL1124285 0.78 DHODH (0.68) NPSR1DHODHGAALMNAKDM4E
SCHEMBL11403188 0.78 DHODH (0.60) NPSR1DHODHGAALMNAKDM4E
SCHEMBL10499296 0.77 NPSR1 (0.63) NPSR1DHODHGAALMNAKDM4E
SCHEMBL10499303 0.77 NPSR1 (0.63) NPSR1DHODHGAALMNAKDM4E
SCHEMBL29254508 0.76 DHODH (0.64) NPSR1DHODHGAALMNAKDM4E
SCHEMBL22492470 0.75 DHODH (0.66) NPSR1DHODHGAALMNAKDM4E
SCHEMBL7432042 0.75 MEN1 (0.59) NPSR1DHODHGAALMNAKDM4E

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 NPSR1 1030/4885DHODH 1032/4885GAA 1501/4885

“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.