SCHEMBL1007548

SCHEMBL1007548

CC(CCn1nc(C(F)(F)F)c2c1CCCC2)C(=O)Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
TP53 P04637 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 3/20 0.53
POLQ O75417 1/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
THRB P10828 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 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
SCHEMBL1007045 0.90 MAPT (0.49) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1889101 0.89 MAPT (0.69) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1891585 0.89 SMN1; SMN2 (0.58) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1891758 0.88 POLB (0.56) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1896832 0.87 POLB (0.55) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1895748 0.87 SMN1; SMN2 (0.54) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1007129 0.87 MAPT (0.53) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1008050 0.87 POLB (0.52) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1898637 0.86 POLQ (0.52) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1008084 0.82 POLQ (0.52) MAPTTP53CYP1A2CYP3A4CYP2C19

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 3973/4885CYP1A2 2476/4885

“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.