SCHEMBL31453957

SCHEMBL31453957

CSc1nncc(N2CCS(F)(F)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MEN1 O00255 2/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL31453966 0.79 CYP11B1 (0.38) ALDH1A1L3MBTL1MAPTKDM4ERXFP1
SCHEMBL11631291 0.62 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL844567 0.61 — —
SCHEMBL13521825 0.59 — —
SCHEMBL13851785 0.59 — —
SCHEMBL25422152 0.59 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL11268817 0.58 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL11337041 0.57 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPTKDM4ERXFP1
SCHEMBL3248203 0.57 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTKDM4ESMN1; SMN2
SCHEMBL10830350 0.56 HRH4 (0.66) MAPTKDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-07-24 — — US disclosed
CN-119768401-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-04-04 — — 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 (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-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES GRIN2C, CYP3A4, BICRA ALDH1A1 949/4885L3MBTL1 2605/4885MAPT 892/4885

“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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