SCHEMBL1007993

SCHEMBL1007993

O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(-c2cccs2)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.57
TP53 P04637 4/20 0.57
LMNA P02545 3/20 0.57
THRB P10828 2/20 0.55
POLB P06746 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL12666990 0.83 MAPT (0.57) MAPTTP53LMNATHRBPOLB
SCHEMBL1007931 0.75 SMN1; SMN2 (0.62) MAPTTP53LMNATHRBPOLB
SCHEMBL1005696 0.73 TDP1 (0.61) MAPTTP53LMNATHRBPOLB
SCHEMBL1007403 0.73 MAPT (0.80) MAPTTP53LMNATHRBPOLB
SCHEMBL1008071 0.73 SMN1; SMN2 (0.62) MAPTTP53LMNATHRBPOLB
SCHEMBL1008056 0.73 MAPT (1.00) MAPTTP53LMNATHRBPOLB
SCHEMBL6277844 0.73 SMN1; SMN2 (0.50) MAPTTP53LMNAPOLBTSHR
SCHEMBL1007678 0.73 MAPT (0.56) MAPTTP53LMNATHRBPOLB
SCHEMBL1895484 0.73 TSHR (0.55) MAPTTP53LMNATHRBPOLB
SCHEMBL1009425 0.73 TP53 (0.78) MAPTTP53LMNATHRBPOLB

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 5 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

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.