SCHEMBL3057629

SCHEMBL3057629

CC1CN(c2nc(Cc3ccccc3[N+](=O)[O-])ns2)CCN1C(=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.44
KCNH2 Q12809 9/20 0.44
CYP1A2 P05177 9/20 0.44
CYP2C9 P11712 9/20 0.44
CYP2C19 P33261 9/20 0.44
CYP3A4 P08684 8/20 0.44
TACR2 P21452 6/20 0.44
TACR1 P25103 6/20 0.44
CYP2D6 P10635 5/20 0.44
ERG P11308 2/20 0.42

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
SCHEMBL3059648 0.88 HCRTR1 (0.39)
SCHEMBL3050835 0.86 GSK3B (0.41) CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL3062098 0.85 TACR3 (0.40) TACR3KCNH2
SCHEMBL3063065 0.85 DGAT1 (0.39) TACR3KCNH2TACR2TACR1
SCHEMBL3053676 0.83 SLC6A7 (0.36)
SCHEMBL3064016 0.82 TACR3 (0.39) TACR3KCNH2CYP1A2CYP2C9CYP2C19
SCHEMBL3061041 0.82 GRM5 (0.40) KCNH2
SCHEMBL3064053 0.81 ALDH1A1 (0.42)
SCHEMBL3060280 0.81 NAAA (0.39)
SCHEMBL3052822 0.80 MGLL (0.40) KCNH2

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 TACR3 368/4885KCNH2 4543/4885CYP1A2 2850/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TACR3 368/4885KCNH2 4543/4885CYP1A2 2850/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TACR3 368/4885KCNH2 4543/4885CYP1A2 2850/4885

“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.