SCHEMBL3060229

SCHEMBL3060229

CC1CN(S(=O)(=O)C2CCCC2)CCN1c1nc(Cc2ccccc2[N+](=O)[O-])ns1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
CHRM4 P08173 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GPR174 Q9BXC1 1/20 0.34
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33

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
SCHEMBL3062364 0.99 CHRM4 (0.38) ACHEALDH1A1KMT2ACHRM4MCOLN3
SCHEMBL3059806 0.96 ACHE (0.39) ACHEALDH1A1KMT2AMCOLN3PKM
SCHEMBL3063693 0.89 PKM (0.44) ACHEALDH1A1KMT2AMCOLN3PKM
SCHEMBL3056352 0.87 ACHE (0.36) ACHEALDH1A1KMT2APKMLMNA
SCHEMBL3054859 0.86 ACHE (0.35) ACHEALDH1A1KMT2APKMLMNA
SCHEMBL3055687 0.85 PKM (0.37) ACHEALDH1A1KMT2APKMLMNA
SCHEMBL3051077 0.85 ALDH1A1 (0.39) ACHEALDH1A1KMT2APKMLMNA
SCHEMBL3055645 0.85 ALDH1A1 (0.42) ACHEALDH1A1KMT2AMCOLN3PKM
SCHEMBL3062893 0.85 PKM (0.36) ACHEALDH1A1KMT2APKMLMNA
SCHEMBL3054396 0.84 ALDH1A1 (0.38) ACHEALDH1A1KMT2APKMLMNA

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 ACHE 2964/4885ALDH1A1 1930/4885KMT2A 1844/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ACHE 2964/4885ALDH1A1 1930/4885KMT2A 1844/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ACHE 2964/4885ALDH1A1 1930/4885KMT2A 1844/4885

“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.