SCHEMBL22729397

SCHEMBL22729397

Cc1cn(-c2ccccc2OCC(F)(F)F)c(=O)c2c(C(=O)Nc3ccc(C(C)(C)O)cc3)cnn12

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 8/20 0.67
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NR3C1 P04150 4/20 0.36

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
SCHEMBL29839299 1.00 UGCG (0.67) UGCGMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL22729643 0.89 UGCG (0.51) UGCGMAPTKDM4ESCN9A
SCHEMBL29839326 0.89 UGCG (0.51) UGCGMAPTKDM4ESCN9A
SCHEMBL29839303 0.86 UGCG (0.48) UGCGMAPTSCN9A
SCHEMBL29839298 0.86 UGCG (0.48) UGCGMAPTSCN9ANR3C1
SCHEMBL22729530 0.86 UGCG (0.48) UGCGMAPTSCN9A
SCHEMBL22729804 0.86 UGCG (0.48) UGCGMAPTSCN9ANR3C1
SCHEMBL22729611 0.85 UGCG (0.49) UGCGMAPTSMN1; SMN2ALDH1A1
SCHEMBL29839394 0.85 UGCG (0.49) UGCGMAPTSMN1; SMN2ALDH1A1
SCHEMBL22729450 0.85 UGCG (0.47) UGCGMAPTKDM4ESMN1; SMN2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US claimed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US claimed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP claimed
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — 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 (2 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC UGCG 8/4885MAPT 356/4885KDM4E 1315/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC UGCG 8/4885MAPT 364/4885KDM4E 1270/4885

“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.

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