SCHEMBL2288249

SCHEMBL2288249

Nc1ccc(CNC(=O)c2ccc(SC(F)(F)F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.74
NR1H4 Q96RI1 5/20 0.74
PTPRZ1 P23471 2/20 0.59
NAMPT P43490 1/20 0.57
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PTPN1 P18031 1/20 0.51
LMNA P02545 1/20 0.50
LSS P48449 1/20 0.48
MAPT P10636 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MAPK14 Q16539 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
ESRRG P62508 1/20 0.46

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
SCHEMBL6001754 0.86 EPHX2 (0.73) EPHX2NR1H4PTPRZ1NAMPTPTPN1
SCHEMBL2286115 0.84 EPHX2 (0.74) EPHX2NR1H4PTPRZ1NAMPTPTPN1
SCHEMBL18868425 0.83 EPHX2 (0.78) EPHX2NR1H4KDM4EMAPTCA1
SCHEMBL12604611 0.83 EPHX2 (0.78) EPHX2NR1H4KDM4EMAPTCA1
SCHEMBL27913697 0.83 EPHX2 (0.70) EPHX2NR1H4PTPRZ1NAMPTPTPN1
SCHEMBL2283424 0.83 EPHX2 (0.73) EPHX2NR1H4PTPRZ1NAMPTKDM4E
SCHEMBL3158764 0.82 EPHX2 (0.73) EPHX2NR1H4NAMPTLSSMAPK14
Hydrochloric Acid SCHEMBL30918901 0.82 EPHX2 (0.76) EPHX2NR1H4KDM4EMAPTCA1
SCHEMBL2288175 0.82 EPHX2 (0.71) EPHX2NR1H4PTPRZ1NAMPTALDH1A1
SCHEMBL2282890 0.81 EPHX2 (0.70) EPHX2NR1H4PTPRZ1NAMPTKDM4E

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 13 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
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 1474/4885PTPRZ1 3107/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 EPHX2 3609/4885NR1H4 1474/4885PTPRZ1 3107/4885

“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.