SCHEMBL3428066

SCHEMBL3428066

COc1ccc(NC(=O)Cc2ccc3[nH]ccc3c2)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
CACNA1H O95180 4/20 0.51
CACNA1G O43497 2/20 0.51
CACNA1I Q9P0X4 2/20 0.51
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
RIOK2 Q9BVS4 2/20 0.44
MAPK10 P53779 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GSK3A P49840 1/20 0.44
LMNA P02545 1/20 0.42
NLRP3 Q96P20 1/20 0.42
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
AIMP2 Q13155 1/20 0.41
BACE1 P56817 1/20 0.40
NPY5R Q15761 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLS O94925 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL3423405 0.91 NLRP3 (0.53) MAOBCACNA1HCACNA1GCACNA1IRIOK2
SCHEMBL3401462 0.90 MAOB (0.50) MAOBCACNA1HCACNA1GCACNA1IHDAC1
SCHEMBL3427287 0.90 MAOB (0.50) MAOBCACNA1HCACNA1GCACNA1IHDAC1
SCHEMBL3402493 0.88 MAOB (0.48) MAOBCACNA1HCACNA1GCACNA1IHDAC1
SCHEMBL3429088 0.82 SMN1; SMN2 (0.64) MAOBCACNA1HHDAC1HDAC8SMN1; SMN2
SCHEMBL3423491 0.82 CACNA1H (0.51) MAOBCACNA1HCACNA1GCACNA1IHDAC1
SCHEMBL3427420 0.81 NLRP3 (0.50) MAOBCACNA1HCACNA1GCACNA1IRIOK2
SCHEMBL3398051 0.81 NLRP3 (0.50) MAOBCACNA1HCACNA1GCACNA1IRIOK2
SCHEMBL4296217 0.81 CACNA1H (0.52) MAOBCACNA1HCACNA1GCACNA1IHDAC1
SCHEMBL3424868 0.81 NLRP3 (0.49) MAOBCACNA1HCACNA1GCACNA1IRIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250162-B1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-03-19 EP claimed
US-8536221-B2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC. (US) 2013-09-17 US claimed
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 MAOB 2525/4885CACNA1H 409/4885CACNA1G 380/4885

“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.