SCHEMBL3055722

SCHEMBL3055722

Cc1nc(-c2ccc(C(=O)N3CCN(c4nc(C5(c6ccccc6)CCC(=O)CC5)ns4)CC3)cc2)no1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.51
HDAC4 P56524 1/20 0.43
FAAH O00519 3/20 0.41
DGAT1 O75907 2/20 0.40
SLC6A7 Q99884 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3060855 0.83 OPRD1 (0.45) FAAHSLC6A7ALDH1A1NPC1RAB9A
SCHEMBL3059313 0.83 ABL1 (0.47) MGLLSLC6A7ALDH1A1
SCHEMBL3064319 0.82 FAAH (0.51) FAAHRAB9A
SCHEMBL3045491 0.81 SLC6A7 (0.44) MGLLFAAHSLC6A7ALDH1A1
SCHEMBL3068834 0.79 MEN1 (0.41) MGLLFAAHSLC6A7
SCHEMBL3044774 0.78 MGLL (0.44) MGLLFAAHSLC6A7ALDH1A1NPC1
SCHEMBL3055766 0.77 ALDH1A1 (0.57) MGLLALDH1A1NPC1RAB9A
SCHEMBL3063959 0.76 GRM5 (0.43) MGLLSLC6A7ALDH1A1
SCHEMBL3067188 0.76 MGLL (0.53) MGLLHDAC4SLC6A7NPC1RAB9A
SCHEMBL3068161 0.76 RAB9A (0.38) MGLLALDH1A1NPC1RAB9A

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 3668/4885HDAC4 527/4885FAAH 2797/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MGLL 3668/4885HDAC4 527/4885FAAH 2797/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MGLL 3668/4885HDAC4 527/4885FAAH 2797/4885

“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.