SCHEMBL29907499

SCHEMBL29907499

O=C(O)c1ccnn(-c2ccccc2OCC(F)F)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 3/20 0.47
AGER Q15109 1/20 0.35
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LCLAT1 Q6UWP7 2/20 0.34
HCRTR2 O43614 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HCRTR1 O43613 2/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2B Q14289 1/20 0.33

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
SCHEMBL29907547 0.83 UGCG (0.64) UGCGKDM4E
SCHEMBL29907650 0.81 TSHR (0.41) UGCGALDH1A1HCRTR2KDM4EHCRTR1
SCHEMBL29907352 0.79 UGCG (0.67) UGCGLCLAT1KDM4E
SCHEMBL29907392 0.78 UGCG (0.79) UGCGLCLAT1
SCHEMBL29907456 0.77 UGCG (0.64) UGCGHCRTR2HCRTR1
SCHEMBL29907486 0.76 UGCG (0.54) UGCGALDH1A1LCLAT1KMT2A
SCHEMBL29907372 0.76 UGCG (0.63) UGCGHCRTR2HCRTR1
SCHEMBL24464270 0.76 UGCG (0.62) UGCGLCLAT1
SCHEMBL29907369 0.76 UGCG (0.62) UGCGALDH1A1LCLAT1HCRTR2HCRTR1
SCHEMBL29907412 0.76 UGCG (0.62) UGCGLCLAT1

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 10/4885AGER 550/4885HSD17B10 1136/4885

“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.