SCHEMBL1007401

SCHEMBL1007401

COC(=O)c1ccccc1Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.69
TP53 P04637 2/20 0.69
TSHR P16473 4/20 0.66
GAA P10253 2/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
POLQ O75417 1/20 0.53
LMNA P02545 5/20 0.53
MAPT P10636 5/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL1895205 0.87 POLB (0.58) POLBTP53TSHRGAAHSD17B10
SCHEMBL1008072 0.87 POLQ (0.59) POLBTP53TSHRGAAHSD17B10
SCHEMBL1007507 0.87 LMNA (0.58) POLBTP53TSHRGAAHSD17B10
SCHEMBL1894508 0.85 TP53 (0.64) POLBTP53TSHRGAAHSD17B10
SCHEMBL1007152 0.85 POLB (0.54) POLBTP53TSHRGAAHSD17B10
SCHEMBL1895799 0.84 SMN1; SMN2 (0.56) POLBTP53TSHRGAAHSD17B10
SCHEMBL1006940 0.83 POLB (0.56) POLBTP53TSHRGAAHSD17B10
SCHEMBL8003781 0.83 POLB (0.61) POLBTP53TSHRGAAHSD17B10
SCHEMBL1895564 0.82 TSHR (0.54) POLBTP53TSHRGAAHSD17B10
SCHEMBL1009646 0.81 POLB (0.55) POLBTP53TSHRGAAHSD17B10

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 POLB 3571/4885TP53 3973/4885TSHR 134/4885

“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.