SCHEMBL1007484

SCHEMBL1007484

O=C(O)NCCn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
HTT P42858 1/20 0.65
LMNA P02545 4/20 0.65
TSHR P16473 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
GAA P10253 1/20 0.60
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 6/20 0.54
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
POLQ O75417 1/20 0.51

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
SCHEMBL1007311 0.80 ALDH1A1 (0.97) ALDH1A1HTTLMNATSHRNPSR1
SCHEMBL1008435 0.79 LMNA (1.00) ALDH1A1HTTLMNATSHRNPSR1
SCHEMBL1007176 0.78 ALDH1A1 (0.52) ALDH1A1HTTLMNATSHRNPSR1
SCHEMBL15708803 0.78 LMNA (1.00) ALDH1A1HTTLMNATSHRNPSR1
SCHEMBL1007286 0.77 ALDH1A1 (0.62) ALDH1A1HTTLMNATSHRNPSR1
SCHEMBL1006167 0.76 LMNA (0.94) ALDH1A1HTTLMNATSHRNPSR1
SCHEMBL1007633 0.76 ALDH1A1 (0.72) ALDH1A1HTTLMNATSHRNPSR1
SCHEMBL12666935 0.76 TDP1 (0.45) ALDH1A1HTTLMNATSHRNPSR1
SCHEMBL12666937 0.76 TDP1 (0.45) ALDH1A1HTTLMNATSHRNPSR1
SCHEMBL1892781 0.76 TDP1 (0.45) ALDH1A1HTTLMNATSHRNPSR1

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 2 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
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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 ALDH1A1 614/4885HTT 3487/4885LMNA 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.