SCHEMBL3058982

SCHEMBL3058982

COc1ccc(C(=O)N2CCN(c3nc(C4(c5ccccc5)CCC(=O)CC4)ns3)CC2)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.46
PDE4D Q08499 9/20 0.46
TLR9 Q9NR96 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
PDE4A P27815 7/20 0.44
PDE4C Q08493 7/20 0.44
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.40

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 0.81 OPRD1 (0.45) LMNAMAPTALDH1A1
SCHEMBL3055766 0.76 ALDH1A1 (0.57) MAPTALDH1A1KDM4E
SCHEMBL3045491 0.76 SLC6A7 (0.44) MAPTALDH1A1KDM4E
SCHEMBL3063959 0.76 GRM5 (0.43) LMNAMAPTALDH1A1KDM4ETSHR
SCHEMBL3068834 0.75 MEN1 (0.41) KDM4E
SCHEMBL3064214 0.75 KMT2A (0.41) LMNATP53MAPTALDH1A1KDM4E
SCHEMBL3059313 0.74 ABL1 (0.47) LMNAMAPTALDH1A1
SCHEMBL3055233 0.74 PDE4B (0.48) PDE4BPDE4DTLR9TLR7PDE4A
SCHEMBL3059372 0.71 MEN1 (0.39) LMNATSHR
SCHEMBL3060909 0.71 MEN1 (0.38) LMNA

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 PDE4B 639/4885PDE4D 363/4885TLR9 4256/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PDE4B 639/4885PDE4D 363/4885TLR9 4256/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PDE4B 639/4885PDE4D 363/4885TLR9 4256/4885

“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.