SCHEMBL2286115

SCHEMBL2286115

CNc1ccc(CNC(=O)c2ccc(SC(F)(F)F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.74
NR1H4 Q96RI1 9/20 0.74
NAMPT P43490 1/20 0.61
PTPRZ1 P23471 2/20 0.57
TRPV1 Q8NER1 1/20 0.53
LMNA P02545 1/20 0.51
LSS P48449 1/20 0.49
MAPT P10636 2/20 0.49
PTPN1 P18031 1/20 0.49
ATM Q13315 1/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL2288175 0.87 EPHX2 (0.71) EPHX2NR1H4NAMPTPTPRZ1TRPV1
SCHEMBL2291083 0.85 EPHX2 (0.68) EPHX2NR1H4NAMPTPTPRZ1TRPV1
SCHEMBL2288184 0.85 NR1H4 (0.61) EPHX2NR1H4NAMPTPTPRZ1TRPV1
SCHEMBL2288249 0.84 EPHX2 (0.74) EPHX2NR1H4NAMPTPTPRZ1TRPV1
SCHEMBL6001754 0.83 EPHX2 (0.73) EPHX2NR1H4NAMPTPTPRZ1LMNA
SCHEMBL2283424 0.83 EPHX2 (0.73) EPHX2NR1H4NAMPTPTPRZ1LMNA
SCHEMBL2290753 0.82 SMN1; SMN2 (0.52) EPHX2NR1H4LMNAMAPTHDAC6
SCHEMBL27913697 0.81 EPHX2 (0.70) EPHX2NR1H4NAMPTPTPRZ1LMNA
SCHEMBL2282890 0.81 EPHX2 (0.70) EPHX2NR1H4NAMPTPTPRZ1TRPV1
SCHEMBL22193541 0.79 EPHX2 (0.68) EPHX2NR1H4MAPTHDAC6HDAC1

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 12 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
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 1474/4885NAMPT 200/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 EPHX2 3609/4885NR1H4 1474/4885NAMPT 200/4885

“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.