SCHEMBL1007661

SCHEMBL1007661

COc1ccc(Cl)cc1NC(=O)c1ccc(OCCn2nc(C(F)(F)F)c3c2CCCC3)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
POLB P06746 2/20 0.69
TP53 P04637 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.54
TSHR P16473 2/20 0.54
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.51
THRB P10828 2/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL1007326 0.86 MAPT (0.49) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1006657 0.83 MAPT (0.69) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1006583 0.82 MAPT (0.81) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1893639 0.81 MAPT (0.79) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1009492 0.81 MAPT (0.50) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1007557 0.81 MAPT (0.73) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1893597 0.81 MAPT (0.51) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1009404 0.80 SMN1; SMN2 (0.55) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1007223 0.80 MAPT (0.53) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL12674197 0.80 SMN1; SMN2 (0.48) MAPTPOLBTP53SMN1; SMN2TSHR

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 MAPT 4623/4885POLB 3571/4885TP53 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.