SCHEMBL995708

SCHEMBL995708

CCOC(=O)C(=CNc1ccccc1C(F)(F)F)C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.56
GAA P10253 2/20 0.56
NPSR1 Q6W5P4 4/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
EPHX2 P34913 2/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL995706 1.00 DHODH (0.56) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL1124285 0.90 DHODH (0.68) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL11403188 0.89 DHODH (0.60) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL1124398 0.88 NPSR1 (0.48) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL1124399 0.88 NPSR1 (0.48) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL10499296 0.81 NPSR1 (0.63) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL10499303 0.81 NPSR1 (0.63) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL29254508 0.80 DHODH (0.64) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL2654418 0.80 CYP3A4 (0.61) DHODHGAANPSR1CYP3A4CYP2D6
SCHEMBL28234385 0.75 KDM4E (0.48) GAAKDM4EMAPK1KMT2AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008306-B2 Quinoline compounds KOWA COMPANY, LTD. (JP) 2011-08-30 US disclosed
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
EP-2272843-A1 QUINOLINE COMPOUND Kowa Company, Ltd. (JP) 2011-01-12 EP disclosed
US-20100016327-A1 QUINOLINE COMPOUNDS KOWA COMPANY, LTD. (JP) 2010-01-21 US 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 (2 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 DHODH 1032/4885GAA 1501/4885NPSR1 1030/4885
US-20100016327-A1 QUINOLINE COMPOUNDS NR1H2, NR1H3, LDLR DHODH 2242/4885GAA 504/4885NPSR1 449/4885

“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.