SCHEMBL1008068

SCHEMBL1008068

O=C(CCCn1nc(C(F)(F)F)c2c1CCCC2)Nc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 11/20 0.55
TP53 P04637 4/20 0.55
LMNA P02545 3/20 0.55
THRB P10828 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL1007333 0.97 MAPT (0.55) HTTALDH1A1MAPTTP53LMNA
SCHEMBL1007171 0.89 ALDH1A1 (0.67) HTTALDH1A1MAPTTP53LMNA
SCHEMBL1008483 0.88 MAPT (0.70) HTTMAPTTP53LMNATHRB
SCHEMBL1008333 0.86 ALDH1A1 (0.62) HTTALDH1A1MAPTTP53LMNA
SCHEMBL1008062 0.84 MAPT (0.79) HTTALDH1A1MAPTTP53LMNA
SCHEMBL1007045 0.82 MAPT (0.49) HTTALDH1A1MAPTTP53LMNA
SCHEMBL1007750 0.82 ALDH1A1 (0.59) HTTALDH1A1MAPTTP53LMNA
SCHEMBL1009463 0.81 SMN1; SMN2 (0.60) HTTALDH1A1MAPTTP53LMNA
SCHEMBL1007323 0.81 MAPT (0.78) HTTALDH1A1MAPTTP53LMNA
SCHEMBL1009356 0.81 SMN1; SMN2 (0.62) HTTALDH1A1MAPTTP53LMNA

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 HTT 3487/4885ALDH1A1 614/4885MAPT 4623/4885

“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.