SCHEMBL1007045

SCHEMBL1007045

CC(CCn1nc(C(F)(F)F)c2c1CCCC2)C(=O)Nc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
TP53 P04637 4/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL1007548 0.90 MAPT (0.56) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1889101 0.85 MAPT (0.69) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1895748 0.83 SMN1; SMN2 (0.54) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1008050 0.83 POLB (0.52) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1008068 0.82 HTT (0.58) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1891758 0.82 POLB (0.56) MAPTTP53CYP1A2CYP3A4CYP2C19
SCHEMBL1008483 0.82 MAPT (0.70) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1896832 0.81 POLB (0.55) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1007333 0.81 MAPT (0.55) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL1007129 0.81 MAPT (0.53) MAPTTP53LMNACYP1A2CYP3A4

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.