SCHEMBL1721039

SCHEMBL1721039

O=C1c2cccc(F)c2CN1c1cc(F)cc(Oc2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.62
GRM5 P41594 2/20 0.42
CYP11B2 P19099 4/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.39
UGCG Q16739 2/20 0.38
CYP11B1 P15538 3/20 0.38
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CBLB Q13191 1/20 0.36

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
SCHEMBL1721366 0.85 FFAR4 (0.68) FFAR4GRM5CYP11B2LMNATDP1
SCHEMBL1727308 0.84 FFAR4 (0.45) FFAR4GRM5CYP11B2LMNATDP1
SCHEMBL1720348 0.83 FFAR4 (0.56) FFAR4GRM5CYP11B2LMNATDP1
SCHEMBL1721253 0.82 FFAR4 (0.60) FFAR4GRM5CYP11B2LMNATDP1
SCHEMBL13186445 0.78 FFAR4 (0.79) FFAR4GRM5LMNATDP1HTT
SCHEMBL1724866 0.77 FFAR4 (1.00) FFAR4GRM5LMNATDP1HTT
SCHEMBL13186545 0.71 FFAR4 (0.67) FFAR4GRM5LMNATDP1FFAR1
SCHEMBL1726319 0.70 CYP11B2 (0.58) FFAR4CYP11B2LMNAHTTCYP11B1
SCHEMBL1720587 0.70 NPC1 (0.49) FFAR4CYP11B2LMNAHTTFFAR1
SCHEMBL2432363 0.68 FFAR4 (0.51) FFAR4GRM5LMNATDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406248-B1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD KK (JP) 2013-12-25 EP claimed
EP-2406248-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2012-01-18 EP claimed
US-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2011-12-22 US claimed
WO-2010104195-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-16 WO claimed
EP-2406248-B1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD KK (JP) 2013-12-25 EP disclosed
US-8362052-B2 Isoindolin-1-one derivative MSD K.K. (JP) 2013-01-29 US disclosed
US-8362052-B2 Isoindolin-1-one derivative MSD K.K. (JP) 2013-01-29 US disclosed
US-8362052-B2 Isoindolin-1-one derivative MSD K.K. (JP) 2013-01-29 US disclosed
EP-2406248-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2012-01-18 EP disclosed
US-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2011-12-22 US disclosed
US-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2011-12-22 US disclosed
US-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE MSD K.K. (JP) 2011-12-22 US disclosed
WO-2010104195-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-16 WO disclosed
WO-2010104195-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-16 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-20110312976-A1 NOVEL ISOINDOLIN-1-ONE DERIVATIVE CBR3, OPRD1, CBR1 FFAR4 4244/4885GRM5 2316/4885CYP11B2 11/4885

“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.