SCHEMBL1008097

SCHEMBL1008097

Cc1sc(NC(=O)c2csc(Cn3nc(C(F)(F)F)c4c3CCCC4)n2)c(C(N)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
GRM1 Q13255 3/20 0.43
MAPT P10636 10/20 0.43
TP53 P04637 4/20 0.43
GAA P10253 1/20 0.43
THRB P10828 2/20 0.41
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1006913 0.89 GRM1 (0.55) SMN1; SMN2ALDH1A1HPGDGRM1MAPT
SCHEMBL1006589 0.87 TP53 (0.42) LMNASMN1; SMN2ALDH1A1GRM1MAPT
SCHEMBL1007241 0.81 LMNA (0.47) LMNASMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL3453384 0.80 LMNA (0.64) LMNASMN1; SMN2ALDH1A1HPGDGRM1
SCHEMBL1006991 0.80 MAPT (0.44) LMNASMN1; SMN2ALDH1A1HPGDGRM1
SCHEMBL1007231 0.79 MAPT (0.49) LMNASMN1; SMN2MAPTTP53GAA
SCHEMBL1082184 0.79 LMNA (0.43) LMNASMN1; SMN2MAPTTP53GAA
SCHEMBL8000406 0.79 MAPT (0.53) LMNAMAPTTP53GAATHRB
SCHEMBL1080699 0.78 MAPT (0.46) LMNASMN1; SMN2MAPTTP53GAA
SCHEMBL1007831 0.78 LMNA (0.51) LMNASMN1; SMN2ALDH1A1MAPTTP53

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 4015/4885SMN1; SMN2 3616/4885ALDH1A1 614/4885

“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.