SCHEMBL30133129

SCHEMBL30133129

CCOC(=O)C1CCc2c1sc(NC(=O)CCl)c2C(=O)c1c(F)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 6/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 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
SCHEMBL30133135 0.92 SMN1; SMN2 (0.38) SMN1; SMN2TSHRKDM4EPOLBMAPT
SCHEMBL27238479 0.87 LMNA (0.40) SMN1; SMN2KDM4EPOLBMAPTALDH1A1
SCHEMBL30133161 0.86 MAPT (0.40) TSHRKDM4EPOLBMAPTALDH1A1
SCHEMBL30133176 0.84 KDM4E (0.42) SMN1; SMN2TSHRKDM4EPOLBMAPT
SCHEMBL30133121 0.82 SMN1; SMN2 (0.40) SMN1; SMN2TSHRKDM4EPOLBMAPT
SCHEMBL30133170 0.81 PDE4B (0.38) SMN1; SMN2KDM4EPOLBMAPTALDH1A1
SCHEMBL30133143 0.80 PDE4B (0.37) SMN1; SMN2TSHRPOLBMAPTALDH1A1
SCHEMBL27238444 0.79 GABRP (0.38) SMN1; SMN2KDM4EMAPTHTTHPGD
SCHEMBL29281266 0.77 ALDH1A1 (0.41) SMN1; SMN2TSHRKDM4EPOLBMAPT
SCHEMBL30133093 0.76 PDE4B (0.38) SMN1; SMN2KDM4EPOLBMAPTALDH1A1

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 1314/4885TSHR 1800/4885KDM4E 2009/4885

“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.