SCHEMBL29907378

SCHEMBL29907378

N#Cc1ccc(NC(=O)c2cccn(-c3ccccc3OCC(F)(F)F)c2=O)nc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 2/20 0.59
▸ SCN9A Q15858 2/20 0.42
▸ CACNA1H O95180 3/20 0.41
▸ CACNA1G O43497 2/20 0.41
▸ CACNA1C Q13936 2/20 0.41
▸ CACNA1I Q9P0X4 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ F10 P00742 3/20 0.41
▸ TMPRSS4 Q9NRS4 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ AHR P35869 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ GPR6 P46095 2/20 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
SCHEMBL29907366 0.83 UGCG (0.59) UGCGSCN9ACACNA1HCACNA1GCACNA1I
SCHEMBL29907644 0.83 UGCG (0.68) UGCG
SCHEMBL29839343 0.82 SCN9A (0.43) UGCGSCN9ACACNA1HCACNA1GCACNA1C
SCHEMBL22729477 0.82 SCN9A (0.43) UGCGSCN9ACACNA1HCACNA1GCACNA1C
SCHEMBL24464252 0.80 UGCG (0.66) UGCGKMT2A
SCHEMBL29907444 0.80 UGCG (0.66) UGCGKMT2A
SCHEMBL29907413 0.79 UGCG (0.62) UGCGSCN9ACACNA1HCACNA1GCACNA1C
SCHEMBL29907619 0.79 UGCG (0.72) UGCGSCN9A
SCHEMBL29907554 0.79 UGCG (0.72) UGCGMEN1KMT2A
SCHEMBL29907618 0.79 UGCG (0.62) UGCGGPR6

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 10/4885SCN9A 1952/4885CACNA1H 1031/4885

“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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