SCHEMBL3060745

SCHEMBL3060745

COc1ccc(C(=O)N2CCN(c3nc(Cc4ccccc4[N+](=O)[O-])ns3)CC2C)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.47
EPHX2 P34913 2/20 0.40
POLB P06746 1/20 0.39
PDE4B Q07343 9/20 0.39
PDE4D Q08499 8/20 0.38
PDE4A P27815 4/20 0.37
PDE4C Q08493 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL3050835 0.83 GSK3B (0.41) ALDH1A1
SCHEMBL3062098 0.80 TACR3 (0.40) ALDH1A1
SCHEMBL3061041 0.79 GRM5 (0.40) ALDH1A1
SCHEMBL3064053 0.79 ALDH1A1 (0.42) POLBALDH1A1
SCHEMBL3053676 0.79 SLC6A7 (0.36)
SCHEMBL3057629 0.78 TACR3 (0.44)
SCHEMBL3060284 0.78 NAAA (0.40) ALDH1A1
SCHEMBL3064016 0.77 TACR3 (0.39) ALDH1A1
SCHEMBL3063065 0.77 DGAT1 (0.39)
SCHEMBL3052822 0.76 MGLL (0.40)

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 PDE5A 1617/4885EPHX2 4565/4885POLB 3933/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PDE5A 1617/4885EPHX2 4565/4885POLB 3933/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PDE5A 1617/4885EPHX2 4565/4885POLB 3933/4885

“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.