SCHEMBL3045491

SCHEMBL3045491

N#Cc1ccc(C(=O)N2CCN(c3nc(C4(c5ccccc5)CCC(=O)CC4)ns3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 3/20 0.44
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
PARP1 P09874 1/20 0.41
GPR6 P46095 1/20 0.41
NAMPT P43490 2/20 0.39
MGLL Q99685 2/20 0.39
KCNA5 P22460 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FAAH O00519 2/20 0.37
SMO Q99835 1/20 0.37
PDK1 Q15118 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
SCHEMBL3063959 0.91 GRM5 (0.43) SLC6A7NAMPTMGLLMAPTKDM4E
SCHEMBL3060855 0.86 OPRD1 (0.45) SLC6A7MAPTALDH1A1HPGDKMT2A
SCHEMBL3059313 0.83 ABL1 (0.47) SLC6A7MGLLMAPTALDH1A1
SCHEMBL3068834 0.83 MEN1 (0.41) SLC6A7MGLLKDM4EMEN1KMT2A
SCHEMBL3055722 0.81 MGLL (0.51) SLC6A7MGLLALDH1A1FAAH
SCHEMBL3067188 0.80 MGLL (0.53) SLC6A7MGLLMAPTHTTNPSR1
SCHEMBL3055766 0.79 ALDH1A1 (0.57) MGLLMAPTKDM4EALDH1A1MEN1
SCHEMBL3054756 0.79 FAAH (0.46) ALDH1A1FAAH
SCHEMBL3063668 0.77 KMT2A (0.46) MAPTKDM4EALDH1A1MEN1HTT
SCHEMBL3064214 0.77 KMT2A (0.41) MAPTKDM4EALDH1A1MEN1HTT

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 1889/4885MMP2 4094/4885MMP9 4228/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SLC6A7 1889/4885MMP2 4094/4885MMP9 4228/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SLC6A7 1889/4885MMP2 4094/4885MMP9 4228/4885

“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.