SCHEMBL1007295

SCHEMBL1007295

CC(C)(C)c1cc(C(F)(F)F)n2ncc(C(=N)NO)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 8/20 0.42
HPGD P15428 6/20 0.42
CASP1 P29466 3/20 0.42
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CASP7 P55210 2/20 0.40
ESR1 P03372 1/20 0.40
GAA P10253 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL1008031 0.91 LMNA (0.56) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1007005 0.85 HSD17B10 (0.51) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1007294 0.78 LMNA (0.47) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1007293 0.78 LMNA (0.47) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1008095 0.77 KDM4E (0.68) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL311925 0.76 KDM4E (0.57) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1007907 0.71 KDM4E (0.41) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1008005 0.69 KDM4E (0.63) KDM4EALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL1007592 0.68 LMNA (0.53) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1008028 0.68 LMNA (0.53) LMNAKDM4EALDH1A1HSD17B10HPGD

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 2 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
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 LMNA 4015/4885KDM4E 3157/4885ALDH1A1 614/4885

“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.