SCHEMBL1007882

SCHEMBL1007882

CCOc1ccc(OCC)c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.69
TSHR P16473 3/20 0.69
MAPT P10636 9/20 0.68
POLB P06746 4/20 0.68
TP53 P04637 4/20 0.65
GAA P10253 1/20 0.64
HSD17B10 Q99714 1/20 0.64
LMNA P02545 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL1894452 0.81 MAPT (0.81) SMN1; SMN2TSHRMAPTPOLBTP53
SCHEMBL1006960 0.79 MAPT (0.77) SMN1; SMN2TSHRMAPTPOLBTP53
SCHEMBL1894639 0.79 TSHR (0.78) SMN1; SMN2TSHRMAPTPOLBTP53
SCHEMBL1005654 0.78 MAPT (0.79) SMN1; SMN2TSHRMAPTPOLBTP53
SCHEMBL1890276 0.78 TP53 (0.93) SMN1; SMN2TSHRMAPTPOLBTP53
SCHEMBL1007707 0.78 POLB (0.81) SMN1; SMN2TSHRMAPTPOLBTP53
SCHEMBL1008209 0.75 MAPT (0.74) SMN1; SMN2TSHRMAPTPOLBTP53
SCHEMBL1895020 0.75 MAPT (0.67) SMN1; SMN2TSHRMAPTPOLBTP53
SCHEMBL1009425 0.75 TP53 (0.78) SMN1; SMN2TSHRMAPTPOLBTP53
SCHEMBL1007102 0.74 MAPT (0.69) SMN1; SMN2TSHRMAPTPOLBTP53

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 SMN1; SMN2 3616/4885TSHR 134/4885MAPT 4623/4885

“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.