SCHEMBL30133121

SCHEMBL30133121

CCOC(=O)C1Cc2sc(NC(=O)CCl)c(C(=O)c3c(F)cccc3Cl)c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 7/20 0.39
TP53 P04637 4/20 0.39
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 3/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.37
THRB P10828 1/20 0.37
NPC1 O15118 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
SCHEMBL30133169 0.92 RAB9A (0.41) SMN1; SMN2KDM4ETSHRPOLBRAB9A
SCHEMBL30133140 0.87 PDE4B (0.40) SMN1; SMN2KDM4ETSHRPOLBRAB9A
SCHEMBL27238415 0.87 PDE4B (0.39) SMN1; SMN2KDM4EPOLBRAB9AKMT2A
SCHEMBL30133088 0.86 MAPT (0.42) KDM4EPOLBMAPTTP53PDE4B
SCHEMBL30133087 0.83 KDM4E (0.44) SMN1; SMN2KDM4ETSHRPOLBRAB9A
SCHEMBL30133129 0.82 SMN1; SMN2 (0.39) SMN1; SMN2KDM4ETSHRPOLBRAB9A
SCHEMBL30133099 0.82 PDE4B (0.39) SMN1; SMN2KDM4ETSHRPOLBRAB9A
SCHEMBL30133151 0.81 PDE4B (0.42) SMN1; SMN2KDM4EPOLBKMT2AMEN1
SCHEMBL30133081 0.81 PDE4B (0.40) SMN1; SMN2KDM4ETSHRPOLBKMT2A
SCHEMBL27238428 0.79 PDE4B (0.41) SMN1; SMN2KDM4ERAB9AMAPTTP53

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 SMN1; SMN2 1314/4885KDM4E 2009/4885TSHR 1800/4885

“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.