SCHEMBL2288145

SCHEMBL2288145

CC1(C)CC(Nc2ccc(CC(=O)Nc3ccc(SC(F)F)cc3)cc2)CC(C)(C)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
SMN1; SMN2 Q16637 6/20 0.59
LMNA P02545 5/20 0.59
GAA P10253 4/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
HTT P42858 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAP4K4 O95819 1/20 0.51
ABL1 P00519 1/20 0.51
NTRK1 P04629 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
CSF1R P07333 1/20 0.51
RET P07949 1/20 0.51
IGF1R P08069 1/20 0.51
PDGFRB P09619 1/20 0.51
FGFR1 P11362 1/20 0.51

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
SCHEMBL2285926 0.83 KMT2A (0.66) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL2285474 0.83 KMT2A (0.66) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL2288885 0.82 KMT2A (0.65) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL2290789 0.82 KMT2A (0.65) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL2288665 0.81 MAPT (0.62) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL2290809 0.79 KMT2A (0.60) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL2284438 0.78 MEN1 (0.76) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL2285345 0.77 SMN1; SMN2 (0.62) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL15520341 0.76 SMN1; SMN2 (0.82) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL2287139 0.75 MEN1 (0.76) KMT2AMAPTMEN1SMN1; SMN2LMNA

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-2119476-B1 Amide derivatives as positive allosteric modulators and methods of use thereof ABBVIE INC (US) 2014-03-19 EP claimed
US-20100286109-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-11 US 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 KMT2A 1156/4885MAPT 842/4885MEN1 4573/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 KMT2A 1156/4885MAPT 842/4885MEN1 4573/4885

“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.