SCHEMBL3427360

SCHEMBL3427360

CN1CCc2cc(CNC(=O)c3ccc(SC(F)(F)F)cc3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.57
NR1H4 Q96RI1 1/20 0.57
TP53 P04637 6/20 0.54
NAMPT P43490 1/20 0.52
PRKAB2 O43741 1/20 0.51
PRKAG1 P54619 1/20 0.51
PRKAA2 P54646 1/20 0.51
PRKAA1 Q13131 1/20 0.51
PRKAG3 Q9UGI9 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51
LMNA P02545 7/20 0.50
THRB P10828 3/20 0.50
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
IDO1 P14902 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
SCHEMBL3428087 0.94 PRKAB2 (0.58) EPHX2NR1H4TP53NAMPTPRKAB2
SCHEMBL4296210 0.88 LMNA (0.66) EPHX2NR1H4TP53LMNATHRB
SCHEMBL21945107 0.85 LMNA (0.64) TP53PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25780604 0.82 TP53 (0.66) TP53PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25780341 0.81 TP53 (0.74) EPHX2TP53PRKAB2PRKAG1PRKAA2
SCHEMBL3423525 0.77 EPHX2 (0.57) EPHX2NR1H4TP53NAMPTLMNA
SCHEMBL25781029 0.76 PRKAB2 (0.64) TP53PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2288249 0.75 EPHX2 (0.74) EPHX2NR1H4NAMPTLMNAMAPT
SCHEMBL3425963 0.74 CHRNA7 (0.64) EPHX2NR1H4NAMPT
SCHEMBL3430497 0.74 EPHX2 (0.60) EPHX2NR1H4NAMPTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP claimed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US claimed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 WO claimed
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP disclosed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US disclosed
EP-2250162-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-17 EP disclosed
US-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-10-29 US disclosed
WO-2009100294-A2 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-08-13 WO 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-20090270408-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA2, CHRNA4, CHRNA5 EPHX2 3581/4885NR1H4 1031/4885TP53 4201/4885

“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.