SCHEMBL1894575

SCHEMBL1894575

CN(C)C(=O)c1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.78
POLB P06746 4/20 0.78
TSHR P16473 3/20 0.75
GAA P10253 1/20 0.70
HSD17B10 Q99714 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.69
MAPT P10636 8/20 0.62
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 2/20 0.59
POLQ O75417 1/20 0.59
THRB P10828 1/20 0.57

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
SCHEMBL1007695 0.88 TP53 (0.80) TP53POLBTSHRGAAHSD17B10
SCHEMBL1006939 0.87 TP53 (0.79) TP53POLBTSHRGAAHSD17B10
SCHEMBL1007707 0.86 POLB (0.81) TP53POLBTSHRGAAHSD17B10
SCHEMBL1009425 0.83 TP53 (0.78) TP53POLBTSHRGAAHSD17B10
SCHEMBL1008072 0.83 POLQ (0.59) TP53POLBTSHRGAAHSD17B10
SCHEMBL1891266 0.82 MAPT (0.80) TP53POLBSMN1; SMN2MAPTCYP1A2
SCHEMBL1893079 0.80 TP53 (0.74) TP53POLBTSHRGAAHSD17B10
SCHEMBL1007102 0.78 MAPT (0.69) TP53POLBTSHRGAAHSD17B10
SCHEMBL1006454 0.78 POLB (0.68) TP53POLBTSHRGAAHSD17B10
SCHEMBL8009300 0.77 TP53 (0.75) TP53POLBTSHRGAAHSD17B10

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 4 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
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 TP53 3973/4885POLB 3571/4885TSHR 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.