SCHEMBL3064294

SCHEMBL3064294

CC(C)c1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
ALDH1A1 P00352 7/20 0.67
KDM4E B2RXH2 6/20 0.67
ALOX15 P16050 2/20 0.67
HSD17B10 Q99714 2/20 0.67
HPGD P15428 5/20 0.44
CUL4A Q13619 4/20 0.44
NPSR1 Q6W5P4 3/20 0.40
RXFP1 Q9HBX9 3/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK10 P53779 1/20 0.39
LMNA P02545 2/20 0.39
ERBB2 P04626 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL935141 0.80 ALDH1A1 (1.00) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1778210 0.74 KDM4E (0.58) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1539819 0.70 ALDH1A1 (0.64) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1539836 0.70 MAPT (0.64) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL16296036 0.69 KDM4E (0.56) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL6441223 0.68 ALDH1A1 (0.61) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL2285856 0.67 MAPT (0.49) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1539813 0.67 MAPT (0.64) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1539779 0.67 MAPT (0.64) MAPTALDH1A1KDM4EALOX15HSD17B10
SCHEMBL12377460 0.64 MAPT (0.51) MAPTALDH1A1KDM4EALOX15HSD17B10

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 MAPT 9/4885ALDH1A1 1930/4885KDM4E 4164/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885ALDH1A1 1930/4885KDM4E 4164/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885ALDH1A1 1930/4885KDM4E 4164/4885

“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.