SCHEMBL1010068

SCHEMBL1010068

O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cccc(-c2nnc3n2CCCCC3)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.65
TP53 P04637 4/20 0.65
LMNA P02545 4/20 0.65
THRB P10828 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 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
SCHEMBL1007724 0.84 MAPT (0.77) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL1008056 0.79 MAPT (1.00) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL8004881 0.79 MAPT (0.78) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL1009834 0.78 MAPT (0.65) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL1893298 0.78 MAPT (0.67) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL1008552 0.78 MAPT (0.80) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL1006193 0.78 MAPT (0.80) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL1895472 0.78 MAPT (0.75) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL1007712 0.77 MAPT (0.74) MAPTTP53LMNATHRBSMN1; SMN2
SCHEMBL1897519 0.77 MAPT (0.79) MAPTTP53LMNATHRBSMN1; SMN2

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 4623/4885TP53 3973/4885LMNA 4015/4885

“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.