SCHEMBL30133150

SCHEMBL30133150

C[C@H](N)C(=O)Nc1sc2c(c1C(=O)c1c(F)cccc1F)CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
NPC1 O15118 9/20 0.53
RAB9A P51151 8/20 0.53
MAPT P10636 6/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.47
ESR2 Q92731 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FLT3 P36888 3/20 0.46

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
SCHEMBL29207628 0.97 RAB9A (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29207766 0.97 RAB9A (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29207713 0.89 NPC1 (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29207760 0.88 NPC1 (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29207757 0.88 NPC1 (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29207705 0.85 RAB9A (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29207661 0.84 NPC1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29207667 0.84 NPC1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29207696 0.84 MAPT (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29207693 0.84 MAPT (0.40) MEN1KMT2ANPC1RAB9AMAPT

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 MEN1 3621/4885KMT2A 2860/4885NPC1 1555/4885

“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.