SCHEMBL3059210

SCHEMBL3059210

CCCCCCCCCCCCCCCCS(=O)(=O)N1CCN(c2nc(Cc3ccccc3[N+](=O)[O-])ns2)C(C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.37
TXNRD1 Q16881 4/20 0.33
ACHE P22303 2/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL3044763 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EPKMTXNRD1ACHE
SCHEMBL3068528 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EPKMTXNRD1ACHE
SCHEMBL3055478 1.00 ALDH1A1 (0.41) ALDH1A1KDM4EPKMTXNRD1ACHE
SCHEMBL3055645 0.97 ALDH1A1 (0.42) ALDH1A1KDM4EPKMACHECYP1A2
SCHEMBL3063693 0.92 PKM (0.44) ALDH1A1KDM4EPKMACHECYP1A2
SCHEMBL3054396 0.91 ALDH1A1 (0.38) ALDH1A1KDM4EPKMACHECYP1A2
SCHEMBL3051077 0.89 ALDH1A1 (0.39) ALDH1A1KDM4EPKMACHECYP1A2
SCHEMBL3055534 0.87 ALDH1A1 (0.37) ALDH1A1KDM4EPKMACHECYP1A2
SCHEMBL3055687 0.86 PKM (0.37) ALDH1A1KDM4EPKMACHECYP1A2
SCHEMBL3062893 0.85 PKM (0.36) ALDH1A1KDM4EPKMACHECYP1A2

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 1930/4885KDM4E 4164/4885PKM 1944/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885KDM4E 4164/4885PKM 1944/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885KDM4E 4164/4885PKM 1944/4885

“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.