SCHEMBL1006871

SCHEMBL1006871

O=C(c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 4/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 4/20 0.49
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CYP2C9 P11712 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
KCNJ2 P63252 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
POLQ O75417 1/20 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
SCHEMBL1007215 0.87 LMNA (0.56) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL1009148 0.84 GRIA2 (0.49) GRIA2CYP2D6LMNATSHRNPSR1
SCHEMBL1005358 0.83 LMNA (0.48) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL1007698 0.82 LMNA (0.47) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL1007919 0.82 LMNA (0.47) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL1007241 0.82 LMNA (0.47) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL8000406 0.80 MAPT (0.53) LMNATSHRNPSR1GAAMAPT
SCHEMBL1007831 0.79 LMNA (0.51) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL1006942 0.78 LMNA (0.46) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL1007573 0.78 SMN1; SMN2 (0.49) GRIA2LMNATSHRNPSR1GAA

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 7 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 claimed
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 GRIA2 23/4885CYP2D6 3476/4885LMNA 4015/4885

“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.