SCHEMBL29907649

SCHEMBL29907649

O=C(O)c1cccn(-c2ncncc2OCC(F)(F)F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.34
RXRA P19793 1/20 0.34
HNF4A P41235 1/20 0.34
GSK3A P49840 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GSK3B P49841 2/20 0.33
BUB1 O43683 1/20 0.33
DGAT1 O75907 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
RBP4 P02753 1/20 0.32

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
SCHEMBL29907502 0.82 UGCG (0.54) UGCGDGAT1RIPK3
SCHEMBL29907653 0.79 UGCG (0.59) UGCGRIPK3
SCHEMBL29907607 0.75 UGCG (0.48) UGCGL3MBTL1KDM4ERXRAHNF4A
SCHEMBL29907341 0.74 UGCG (0.52) UGCGKDM4E
SCHEMBL29907573 0.73 UGCG (0.46) UGCGL3MBTL1KDM4EHCRTR1HCRTR2
SCHEMBL29907449 0.71 UGCG (0.42) UGCGL3MBTL1RXRAHNF4AALDH1A1
SCHEMBL1555479 0.69 L3MBTL1 (0.48) L3MBTL1KDM4ERXRAHNF4AGSK3A
SCHEMBL1434118 0.68 ALDH1A1 (0.59) L3MBTL1KDM4EALDH1A1NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL1554919 0.68 L3MBTL1 (0.47) L3MBTL1KDM4ERXRAHNF4AGSK3A
SCHEMBL11784830 0.66 ALDH1A1 (0.57) L3MBTL1KDM4EALDH1A1NPSR1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289679-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-15 US 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-20220289679-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 10/4885L3MBTL1 1929/4885KDM4E 2610/4885

“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.