SCHEMBL1005696

SCHEMBL1005696

O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCCc1cccs1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 7/20 0.56
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
LMNA P02545 3/20 0.55
POLB P06746 1/20 0.55
TSHR P16473 2/20 0.53
THRB P10828 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL1007931 0.90 SMN1; SMN2 (0.62) TDP1MAPTTP53SMN1; SMN2LMNA
SCHEMBL1008071 0.88 SMN1; SMN2 (0.62) TDP1MAPTTP53SMN1; SMN2LMNA
SCHEMBL1006739 0.84 TDP1 (0.66) TDP1MAPTTP53SMN1; SMN2LMNA
SCHEMBL1006301 0.82 TDP1 (0.69) TDP1MAPTTP53SMN1; SMN2LMNA
SCHEMBL1007863 0.79 ALDH1A1 (0.57) MAPTTP53SMN1; SMN2LMNAPOLB
SCHEMBL1895484 0.78 TSHR (0.55) MAPTTP53SMN1; SMN2LMNAPOLB
SCHEMBL1007678 0.78 MAPT (0.56) TDP1MAPTTP53SMN1; SMN2LMNA
SCHEMBL1007522 0.77 SMN1; SMN2 (0.76) TDP1MAPTTP53SMN1; SMN2LMNA
SCHEMBL1005241 0.77 SMN1; SMN2 (0.64) TDP1MAPTTP53SMN1; SMN2LMNA
SCHEMBL1005547 0.76 SMN1; SMN2 (0.58) TDP1MAPTTP53SMN1; SMN2LMNA

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 5 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
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 TDP1 3371/4885MAPT 4623/4885TP53 3973/4885

“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.