SCHEMBL3415239

SCHEMBL3415239

CCOC(=O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
IDO1 P14902 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.44
ALDH1A1 P00352 5/20 0.43
NFKB1 P19838 5/20 0.42
JUN P05412 4/20 0.42
NFKB2 Q00653 4/20 0.42
RELA Q04206 4/20 0.42
HPGD P15428 1/20 0.40
ATF1 P18846 1/20 0.40
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
FOS P01100 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
P2RY12 Q9H244 1/20 0.38

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
SCHEMBL2703185 0.85 KDM4E (0.48) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL3412275 0.83 L3MBTL1 (0.38) KDM4ENPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL3409180 0.81 ALDH1A1 (0.46) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL22868094 0.80 KDM4E (0.49) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL6731339 0.79 KDM4E (0.64) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL19579744 0.76 L3MBTL1 (0.38) KDM4EALDH1A1
SCHEMBL14966971 0.75 KDM4E (0.56) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL29076968 0.75 KDM4E (0.50) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL17979169 0.75 KDM4E (0.56) KDM4EIDO1NPSR1MAPTALDH1A1
SCHEMBL29076964 0.74 KDM4E (0.50) KDM4EIDO1NPSR1MAPTALDH1A1

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-2262770-B1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-08-01 EP disclosed
US-7897621-B2 2-trifluoromethylnicotinamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
EP-2262770-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009121740-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-08 WO disclosed
US-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN-LA ROCHE, INC. 2009-10-01 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-20090247588-A1 2-TRIFLUOROMETHYLNICOTINAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, NPC1 KDM4E 2667/4885IDO1 4810/4885NPSR1 1203/4885

“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.