SCHEMBL3052822

SCHEMBL3052822

CC1CN(c2nc(Cc3ccccc3[N+](=O)[O-])ns2)CCN1C(=O)c1ccc(-n2ccc(C(F)(F)F)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
SMO Q99835 4/20 0.35
NAAA Q02083 4/20 0.34
CXCR3 P49682 4/20 0.34
CHRM4 P08173 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A7 Q99884 2/20 0.33
KCNH2 Q12809 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
SCHEMBL3053676 0.87 SLC6A7 (0.36) SMONAAACXCR3MAPTSLC6A7
SCHEMBL3050835 0.83 GSK3B (0.41) SMONAAAMAPTSLC6A7
SCHEMBL3062098 0.82 TACR3 (0.40) SMONAAACHRM4SLC6A7KCNH2
SCHEMBL3057629 0.80 TACR3 (0.44) KCNH2
SCHEMBL3063065 0.79 DGAT1 (0.39) MGLLSMOMAPTSLC6A7KCNH2
SCHEMBL3061041 0.77 GRM5 (0.40) SMONAAANPC1KCNH2
SCHEMBL3064053 0.77 ALDH1A1 (0.42) NAAANPC1MAPTRAB9A
SCHEMBL3060745 0.76 PDE5A (0.47)
SCHEMBL3060280 0.76 NAAA (0.39) NAAAMAPT
SCHEMBL3060284 0.76 NAAA (0.40) NAAANPC1MAPTRAB9A

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 MGLL 3668/4885SMO 1295/4885NAAA 3714/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MGLL 3668/4885SMO 1295/4885NAAA 3714/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MGLL 3668/4885SMO 1295/4885NAAA 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.