SCHEMBL3068834

SCHEMBL3068834

O=C1CCC(c2ccccc2)(c2nsc(N3CCN(C(=O)c4ccc(-n5cccn5)cc4)CC3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.38
SLC6A7 Q99884 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
USP7 Q93009 1/20 0.36
MGLL Q99685 7/20 0.36
FAAH O00519 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3067188 0.85 MGLL (0.53) PKMNPSR1HSD17B10SLC6A7OPRD1
SCHEMBL3045491 0.83 SLC6A7 (0.44) MEN1KMT2ANPSR1SLC6A7MGLL
SCHEMBL3060855 0.83 OPRD1 (0.45) KMT2ASLC6A7OPRD1OPRK1FAAH
SCHEMBL3059313 0.81 ABL1 (0.47) SLC6A7MGLL
SCHEMBL3055722 0.79 MGLL (0.51) SLC6A7MGLLFAAH
SCHEMBL3063959 0.77 GRM5 (0.43) SLC6A7MGLLKDM4E
SCHEMBL3054968 0.77 HSD11B1 (0.40) MEN1KMT2A
SCHEMBL3055766 0.76 ALDH1A1 (0.57) MEN1KMT2APKMHSD17B10MGLL
SCHEMBL3058982 0.75 PDE4B (0.46) KDM4E
SCHEMBL3064214 0.75 KMT2A (0.41) MEN1KMT2AHSD17B10FAAHKDM4E

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 MEN1 799/4885KMT2A 1844/4885POLB 3933/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885POLB 3933/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885POLB 3933/4885

“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.