SCHEMBL2288155

SCHEMBL2288155

O=C(NCc1cccc(-n2cccn2)c1)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
KLKB1 P03952 4/20 0.50
KLK1 P06870 2/20 0.50
LMNA P02545 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
NAMPT P43490 1/20 0.46
KDM4E B2RXH2 1/20 0.46
DGAT1 O75907 2/20 0.46
MLYCD O95822 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
ELOVL6 Q9H5J4 1/20 0.43
CHRM4 P08173 1/20 0.43
GLS O94925 1/20 0.43
MAPK1 P28482 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
SCHEMBL4554744 0.88 KLKB1 (0.49) KLKB1KLK1LMNAPI4KBKDM4E
SCHEMBL2288180 0.84 NR1H4 (0.56) EPHX2NR1H4NAMPTMLYCDCYP4Z1
SCHEMBL2287160 0.80 EPHX2 (0.54) EPHX2NR1H4KLKB1KLK1NAMPT
SCHEMBL2283481 0.79 EPHX2 (0.53) EPHX2NR1H4KLKB1KLK1NAMPT
SCHEMBL2288184 0.75 NR1H4 (0.61) EPHX2NR1H4LMNANAMPTMLYCD
SCHEMBL2288232 0.74 NR1H4 (0.60) EPHX2NR1H4LMNANAMPTKDM4E
SCHEMBL2291524 0.74 EPHX2 (0.66) EPHX2NR1H4LMNANAMPTCHRM4
SCHEMBL3163495 0.72 SCN3A (0.68) LMNANAMPT
SCHEMBL4404243 0.72 LMNA (0.54) KLKB1KLK1LMNAPI4KBNAMPT
SCHEMBL2287178 0.72 EPHX2 (0.57) EPHX2NR1H4NAMPTROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP claimed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US claimed
EP-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP claimed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 US claimed
EP-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP disclosed
US-7994223-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2011-08-09 US disclosed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US disclosed
US-7786171-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2010-08-31 US disclosed
WO-2009145996-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-03 WO disclosed
EP-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP disclosed
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-08 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-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 EPHX2 3609/4885NR1H4 1474/4885KLKB1 4549/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 EPHX2 3609/4885NR1H4 1474/4885KLKB1 4549/4885

“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.