SCHEMBL21046775

SCHEMBL21046775

FC(F)(F)c1ncc(Cl)cc1SCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ DAO P14920 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ ATF1 P18846 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAPK1 P28482 1/20 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
SCHEMBL21761104 0.83 DAO (0.40) MEN1KMT2ADAOPKMMAPT
SCHEMBL26694307 0.81 NPSR1 (0.42) MEN1KMT2APKMMAPTGAA
SCHEMBL29838045 0.81 NPSR1 (0.42) MEN1KMT2APKMMAPTGAA
SCHEMBL21046986 0.78 SCN9A (0.48) MEN1KMT2APKMMAPTGAA
SCHEMBL26694129 0.74 SLC6A4 (0.51) MEN1KMT2APKMMAPTGAA
SCHEMBL20304607 0.74 MAPT (0.43) MEN1KMT2APKMMAPTGAA
SCHEMBL21047264 0.74 MEN1 (0.40) MEN1KMT2ADAOPKMMAPT
SCHEMBL29154280 0.73 MEN1 (0.42) MEN1KMT2APKMMAPTGAA
SCHEMBL18601113 0.73 NR2E3 (0.43) MEN1KMT2APKMMAPTGAA
SCHEMBL29154281 0.72 MEN1 (0.39) MEN1KMT2ADAOPKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498693-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-10-30 — — EP disclosed
CN-109790122-B Heterocyclic compounds 武田药品工业株式会社 2022-06-24 — — CN disclosed
US-10696651-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-30 — — US disclosed
EP-3498693-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-06-19 — — EP disclosed
US-20190169166-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-06 — — US disclosed
CN-109790122-A Heterocyclic compound 武田药品工业株式会社 2019-05-21 — — CN 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-10696651-B2 Heterocyclic compound EIF2AK4, GCN1, GTF2I MEN1 415/4885KMT2A 2091/4885DAO 4042/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I MEN1 415/4885KMT2A 2091/4885DAO 4042/4885

“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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