SCHEMBL1008407

SCHEMBL1008407

CCn1ncc(NC(=O)CCCCn2nc(C(F)(F)F)c3c2CCCC3)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
POLB P06746 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 6/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
TP53 P04637 4/20 0.45
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1005372 0.97 ALDH1A1 (0.53) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL1007243 0.88 POLB (0.63) POLBSMN1; SMN2MAPTGAALMNA
SCHEMBL1008257 0.84 LMNA (0.45) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL12666862 0.82 MEN1 (0.44) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL1008136 0.80 POLB (0.61) POLBSMN1; SMN2MAPTGAALMNA
SCHEMBL1005566 0.80 SMN1; SMN2 (0.44) POLBSMN1; SMN2MAPTGAALMNA
SCHEMBL1006135 0.79 POLB (0.62) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL1897850 0.79 ALDH1A1 (0.52) ALDH1A1HTTPOLBSMN1; SMN2MAPT
SCHEMBL1082184 0.78 LMNA (0.43) POLBSMN1; SMN2MAPTGAALMNA
SCHEMBL1007604 0.78 MAPT (0.56) ALDH1A1HTTPOLBSMN1; SMN2MAPT

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 ALDH1A1 614/4885HTT 3487/4885POLB 3571/4885

“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.