SCHEMBL2285345

SCHEMBL2285345

O=C(Cc1ccc(NC2CCCC(c3ccccc3)C2)cc1)Nc1ccc(SC(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.62
LMNA P02545 6/20 0.62
RAB9A P51151 5/20 0.62
NPC1 O15118 3/20 0.62
GAA P10253 2/20 0.62
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
MAPT P10636 7/20 0.54
FFAR4 Q5NUL3 1/20 0.50
HTT P42858 3/20 0.49
CDK5 Q00535 2/20 0.49
MAP4K4 O95819 1/20 0.49
ABL1 P00519 1/20 0.49
NTRK1 P04629 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
RET P07949 1/20 0.49
IGF1R P08069 1/20 0.49
PDGFRB P09619 1/20 0.49

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 0.88 KMT2A (0.66) SMN1; SMN2LMNARAB9ANPC1GAA
SCHEMBL2285474 0.86 KMT2A (0.66) SMN1; SMN2LMNARAB9ANPC1GAA
SCHEMBL2290789 0.85 KMT2A (0.65) SMN1; SMN2LMNARAB9ANPC1GAA
SCHEMBL2288885 0.85 KMT2A (0.65) SMN1; SMN2LMNARAB9ANPC1GAA
SCHEMBL2288665 0.79 MAPT (0.62) SMN1; SMN2LMNARAB9ANPC1GAA
SCHEMBL2288145 0.77 KMT2A (0.60) SMN1; SMN2LMNARAB9ANPC1GAA
SCHEMBL2290809 0.77 KMT2A (0.60) SMN1; SMN2LMNARAB9ANPC1GAA
SCHEMBL15520341 0.75 SMN1; SMN2 (0.82) SMN1; SMN2LMNARAB9ANPC1GAA
SCHEMBL2289155 0.73 KMT2A (0.66) SMN1; SMN2LMNARAB9ANPC1GAA
SCHEMBL2288920 0.72 KMT2A (0.62) SMN1; SMN2LMNARAB9ANPC1GAA

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 9 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
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 SMN1; SMN2 1018/4885LMNA 4622/4885RAB9A 1798/4885
US-20090253670-A1 AMIDE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF CHRNA4, CHRNA2, CHRNA3 SMN1; SMN2 1018/4885LMNA 4622/4885RAB9A 1798/4885

“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.