SCHEMBL3053676

SCHEMBL3053676

CC1CN(c2nc(Cc3ccccc3[N+](=O)[O-])ns2)CCN1C(=O)c1ccc(-n2cccn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.36
CXCR3 P49682 1/20 0.35
NAAA Q02083 4/20 0.34
SMO Q99835 7/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
APP P05067 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
SCHEMBL3052822 0.87 MGLL (0.40) SLC6A7CXCR3NAAASMOMAPT
SCHEMBL3050835 0.85 GSK3B (0.41) SLC6A7NAAASMOGAAMAPT
SCHEMBL3062098 0.85 TACR3 (0.40) SLC6A7NAAASMO
SCHEMBL3057629 0.83 TACR3 (0.44)
SCHEMBL3063065 0.81 DGAT1 (0.39) SLC6A7SMOGAAMAPT
SCHEMBL3061041 0.80 GRM5 (0.40) NAAASMO
SCHEMBL3064053 0.79 ALDH1A1 (0.42) NAAAGAAMAPT
SCHEMBL3060745 0.79 PDE5A (0.47)
SCHEMBL3060280 0.79 NAAA (0.39) NAAAMAPT
SCHEMBL3060284 0.78 NAAA (0.40) NAAAMAPTHRH3

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 SLC6A7 1889/4885CXCR3 3286/4885NAAA 3714/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SLC6A7 1889/4885CXCR3 3286/4885NAAA 3714/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SLC6A7 1889/4885CXCR3 3286/4885NAAA 3714/4885

“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.