SCHEMBL2288232

SCHEMBL2288232

CN(C)c1cccc(CNC(=O)c2ccc(SC(F)(F)F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.60
EPHX2 P34913 1/20 0.60
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MLYCD O95822 1/20 0.49
NAMPT P43490 1/20 0.48
POLB P06746 1/20 0.48
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
CHRM3 P20309 1/20 0.45
PTPRZ1 P23471 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK14 Q16539 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM4 P08173 1/20 0.44
LSS P48449 1/20 0.44

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
SCHEMBL2287407 0.90 NR1H4 (0.57) NR1H4EPHX2MLYCDNAMPTROCK2
SCHEMBL2283424 0.85 EPHX2 (0.73) NR1H4EPHX2HDAC1HDAC6NAMPT
SCHEMBL2288184 0.82 NR1H4 (0.61) NR1H4EPHX2MLYCDNAMPTHTT
SCHEMBL2287178 0.79 EPHX2 (0.57) NR1H4EPHX2NAMPTROCK2ROCK1
SCHEMBL2288180 0.78 NR1H4 (0.56) NR1H4EPHX2MLYCDNAMPTPOLB
SCHEMBL2287160 0.76 EPHX2 (0.54) NR1H4EPHX2HDAC1HDAC6MLYCD
SCHEMBL2282890 0.76 EPHX2 (0.70) NR1H4EPHX2NAMPTKDM4EALDH1A1
SCHEMBL6001754 0.76 EPHX2 (0.73) NR1H4EPHX2HDAC1HDAC6NAMPT
SCHEMBL2283481 0.76 EPHX2 (0.53) NR1H4EPHX2HDAC1HDAC6MLYCD
SCHEMBL25720026 0.75 POLB (0.60) POLBROCK2ROCK1KDM4EALDH1A1

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 14 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-7994223-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2011-08-09 US claimed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US claimed
US-7786171-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2010-08-31 US claimed
WO-2009145996-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-12-03 WO 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 NR1H4 1474/4885EPHX2 3609/4885HDAC1 794/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 NR1H4 1474/4885EPHX2 3609/4885HDAC1 794/4885

“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.