SCHEMBL30133167

SCHEMBL30133167

Nc1sc2c(c1C(=O)c1c(F)cccc1F)CC(C(F)(F)F)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
MAPT P10636 8/20 0.41
ALDH1A1 P00352 7/20 0.41
LMNA P02545 4/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 2/20 0.39
ANO1 Q5XXA6 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 2/20 0.33
ADORA1 P30542 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 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
SCHEMBL30133157 0.82 MAPT (0.53) PDE4BMAPTALDH1A1LMNANPC1
SCHEMBL27238448 0.81 MAPT (0.42) PDE4BMAPTALDH1A1LMNANPC1
SCHEMBL30133114 0.80 MAPT (0.41) PDE4BMAPTALDH1A1LMNANPC1
SCHEMBL30133103 0.78 PDE4B (0.50) PDE4BMAPTALDH1A1LMNANPC1
SCHEMBL30133109 0.78 PDE4B (0.50) PDE4BMAPTALDH1A1LMNANPC1
SCHEMBL30133117 0.75 ALDH1A1 (0.63) MAPTALDH1A1LMNAHPGDKDM4E
SCHEMBL27238466 0.75 GAA (0.39) PDE4BMAPTALDH1A1LMNANPC1
SCHEMBL30133123 0.75 ALDH1A1 (0.42) MAPTALDH1A1LMNANPC1HTT
SCHEMBL30133168 0.74 MAPT (0.38) PDE4BMAPTALDH1A1LMNANPC1
SCHEMBL29207627 0.74 MAPT (0.66) MAPTALDH1A1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190889-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 POSITIVE ALLOSTERIC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2024-06-13 US disclosed
EP-4380940-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2024-06-12 EP disclosed
WO-2023012130-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2023-02-09 WO 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-20240190889-A1 NEW CYCLOPENTA-THIENO-DIAZEPINE DERIVATIVES AS GABA A GAMMA1 POSITIVE ALLOSTERIC MODULATORS GABRA1, GABRA5, GABRB1 PDE4B 231/4885MAPT 496/4885ALDH1A1 911/4885

“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.