SCHEMBL1005358

SCHEMBL1005358

CCN(CC)C(=O)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.47
POLQ O75417 1/20 0.46
MAPT P10636 5/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.44
KCNJ2 P63252 1/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL1009148 0.91 GRIA2 (0.49) LMNATSHRNPSR1GAAPOLQ
SCHEMBL1007215 0.86 LMNA (0.56) LMNATSHRNPSR1GAAPOLQ
SCHEMBL1007698 0.85 LMNA (0.47) LMNATSHRNPSR1GAAPOLQ
SCHEMBL1007241 0.83 LMNA (0.47) LMNATSHRNPSR1GAAMAPT
SCHEMBL1006871 0.83 GRIA2 (0.49) LMNATSHRNPSR1GAAPOLQ
SCHEMBL1007919 0.81 LMNA (0.47) LMNATSHRNPSR1GAAMAPT
SCHEMBL8000406 0.79 MAPT (0.53) LMNATSHRNPSR1GAAPOLQ
SCHEMBL1080699 0.79 MAPT (0.46) LMNATSHRNPSR1GAAMAPT
SCHEMBL1007831 0.78 LMNA (0.51) LMNATSHRNPSR1GAAMAPT
SCHEMBL1006942 0.78 LMNA (0.46) LMNATSHRNPSR1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 LMNA 4015/4885TSHR 134/4885NPSR1 95/4885

“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.