SCHEMBL1007411

SCHEMBL1007411

CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(Cn3nc(C(F)(F)F)c4c3CCCC4)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
GRIA2 P42262 3/20 0.46
MAPT P10636 5/20 0.45
CYP2D6 P10635 1/20 0.44
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL1007440 0.87 GRIA2 (0.57) POLQPOLBGRIA2MAPTCYP2D6
SCHEMBL1007499 0.83 IDO1 (0.49) POLQPOLBSMN1; SMN2GRIA2MAPT
SCHEMBL1007660 0.81 GRIA2 (0.57) POLQPOLBGRIA2MAPTCYP2D6
SCHEMBL8006926 0.80 PARP1 (0.56) POLBSMN1; SMN2MAPTLMNAKMT2A
SCHEMBL1007029 0.79 LMNA (0.56) POLQPOLBGRIA2MAPTCYP2D6
SCHEMBL1006269 0.79 GRIA2 (0.55) POLQPOLBSMN1; SMN2GRIA2MAPT
SCHEMBL1006841 0.78 POLB (0.51) POLQPOLBSMN1; SMN2GRIA2MAPT
SCHEMBL1007201 0.78 POLB (0.56) POLQPOLBSMN1; SMN2GRIA2MAPT
SCHEMBL1009106 0.76 GRIA2 (0.54) POLQPOLBSMN1; SMN2GRIA2MAPT
SCHEMBL3134055 0.76 GRIA2 (0.69) GRIA2MAPTCYP2D6LMNAGAA

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 POLQ 3429/4885POLB 3571/4885SMN1; SMN2 3616/4885

“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.