SCHEMBL3055233

SCHEMBL3055233

COc1ccc(C(=O)N2CCN(c3nc(Cc4ccc(F)cc4)ns3)CC2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.48
PDE4D Q08499 3/20 0.48
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PKM P14618 1/20 0.42
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL3064680 0.87 CNR1 (0.47) PDE4BPDE4DLMNAGAAHTT
SCHEMBL3066941 0.79 CNR1 (0.45) LMNAHTTSMN1; SMN2MAPTKMT2A
SCHEMBL2009579 0.78 CNR1 (0.53) HTTSMN1; SMN2KMT2AKDM4E
SCHEMBL2007046 0.78 CNR1 (0.53) HTTSMN1; SMN2KMT2AKDM4E
SCHEMBL2012084 0.77 CNR1 (0.59) LMNAHTTSMN1; SMN2MAPTKMT2A
SCHEMBL2002975 0.76 HSP90AA1 (0.57) KMT2AHSD17B10
SCHEMBL2008943 0.76 FAAH (0.52) LMNAHTTSMN1; SMN2MAPTKMT2A
SCHEMBL2008436 0.76 FAAH (0.52) HTTSMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL2002840 0.75 MEN1 (0.47) LMNAHTTSMN1; SMN2KMT2AKDM4E
SCHEMBL2007994 0.75 HSP90AA1 (0.45) LMNAHTTSMN1; SMN2MAPTKDM4E

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 363/4885LMNA 1113/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PDE4B 639/4885PDE4D 363/4885LMNA 1113/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PDE4B 639/4885PDE4D 363/4885LMNA 1113/4885

“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.