SCHEMBL1896530

SCHEMBL1896530

CC(NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.69
TP53 P04637 6/20 0.69
THRB P10828 2/20 0.66
LMNA P02545 2/20 0.63
POLB P06746 2/20 0.61
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL1007605 0.91 POLB (0.63) MAPTTP53LMNAPOLBCYP1A2
SCHEMBL1007066 0.89 SMN1; SMN2 (0.63) MAPTTP53THRBLMNAPOLB
SCHEMBL1007250 0.86 MAPT (0.52) MAPTTP53THRBLMNAPOLB
SCHEMBL8000803 0.86 MAPT (0.52) MAPTTP53THRBLMNAPOLB
SCHEMBL1006951 0.86 MAPT (0.52) MAPTTP53THRBLMNAPOLB
SCHEMBL1007964 0.86 MAPT (0.52) MAPTTP53THRBLMNAPOLB
SCHEMBL1007958 0.85 MAPT (0.50) MAPTTP53THRBLMNAPOLB
SCHEMBL1008079 0.85 MAPT (0.50) MAPTTP53THRBLMNAPOLB
SCHEMBL1006664 0.84 MAPT (0.56) MAPTTP53THRBLMNAPOLB
SCHEMBL1900171 0.82 SMN1; SMN2 (0.75) MAPTTP53THRBLMNAPOLB

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 MAPT 4623/4885TP53 3973/4885THRB 496/4885

“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.