SCHEMBL3065979

SCHEMBL3065979

CC1CN(c2nc(C3(c4ccccc4)CCC(=O)CC3)ns2)CCN1S(=O)(=O)c1cccc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.37
HSD11B1 P28845 8/20 0.36
GBA1 P04062 1/20 0.36
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
KCNQ1 P51787 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3055000 0.92 HSD11B1 (0.43) HSD11B1GBA1L3MBTL1
SCHEMBL3063010 0.87 HSD11B1 (0.48) HSD11B1
SCHEMBL3063678 0.85 L3MBTL1 (0.35) HSD11B1L3MBTL1
SCHEMBL3055882 0.85 NPSR1 (0.34) HSD11B1L3MBTL1
SCHEMBL3060157 0.84 TSHR (0.35) HSD11B1CHRM2L3MBTL1
SCHEMBL3059826 0.83 MEN1 (0.33)
SCHEMBL3063168 0.83 ALDH1A1 (0.46) L3MBTL1
SCHEMBL3054705 0.83 NR3C1 (0.37) HSD11B1L3MBTL1
SCHEMBL3058779 0.83 NPSR1 (0.37) HSD11B1L3MBTL1
SCHEMBL3058725 0.82 HSD11B1 (0.34) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 US 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMYD3 2425/4885HSD11B1 136/4885GBA1 14/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMYD3 2425/4885HSD11B1 136/4885GBA1 14/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SMYD3 2425/4885HSD11B1 136/4885GBA1 14/4885

“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.