SCHEMBL1007029

SCHEMBL1007029

O=C(O)c1cccc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.53
MAPT P10636 6/20 0.53
POLQ O75417 1/20 0.53
GAA P10253 1/20 0.52
TP53 P04637 2/20 0.52
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
KCNJ2 P63252 1/20 0.50
RORC P51449 1/20 0.49
GRIA2 P42262 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1007201 0.87 POLB (0.56) LMNATSHRPOLBMAPTPOLQ
SCHEMBL1007660 0.87 GRIA2 (0.57) LMNATSHRNPSR1POLBMAPT
SCHEMBL1007440 0.87 GRIA2 (0.57) LMNATSHRNPSR1POLBMAPT
SCHEMBL13521117 0.87 LMNA (0.62) LMNATSHRNPSR1POLBMAPT
SCHEMBL1006093 0.87 MAPT (0.57) LMNATSHRNPSR1POLBMAPT
SCHEMBL1009106 0.86 GRIA2 (0.54) LMNATSHRNPSR1POLBMAPT
SCHEMBL1006841 0.86 POLB (0.51) LMNATSHRNPSR1POLBMAPT
SCHEMBL1006269 0.85 GRIA2 (0.55) LMNATSHRNPSR1POLBMAPT
SCHEMBL1007499 0.84 IDO1 (0.49) LMNATSHRNPSR1POLBMAPT
SCHEMBL1006821 0.83 MAPT (0.53) LMNATSHRPOLBMAPTGAA

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.