SCHEMBL3063168

SCHEMBL3063168

Cc1nc(-c2cccc(S(=O)(=O)N3CCN(c4nc(C5(c6ccccc6)CCC(=O)CC5)ns4)CC3C)c2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 4/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 3/20 0.45
USP2 O75604 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
USP30 Q70CQ3 1/20 0.38
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
GFER P55789 1/20 0.36
HIF1A Q16665 1/20 0.35

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
SCHEMBL3060406 0.92 MMP1 (0.41) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL3055882 0.86 NPSR1 (0.34) ALDH1A1LMNAMAPTHTTKDM4E
SCHEMBL3065979 0.83 SMYD3 (0.37) L3MBTL1
SCHEMBL3058779 0.83 NPSR1 (0.37) ALDH1A1LMNAMAPTGAANPSR1
SCHEMBL3063678 0.82 L3MBTL1 (0.35) MMP1MMP3MMP7MMP9L3MBTL1
SCHEMBL3062049 0.81 MMP1 (0.35) MAPTMMP1MMP3MMP7MMP9
SCHEMBL3054705 0.80 NR3C1 (0.37) MMP1MMP3MMP7MMP9L3MBTL1
SCHEMBL3054367 0.80 HSD11B1 (0.42) MMP1MMP3MMP7MMP9L3MBTL1
SCHEMBL3055000 0.79 HSD11B1 (0.43) GAATDP1L3MBTL1
SCHEMBL3059826 0.79 MEN1 (0.33)

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 ALDH1A1 1930/4885LMNA 1113/4885MAPT 9/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885LMNA 1113/4885MAPT 9/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885LMNA 1113/4885MAPT 9/4885

“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.