SCHEMBL3059798

SCHEMBL3059798

OC(c1ccc(Oc2ccccc2)cc1)c1nsc(N2CCCNCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.47
SCN4A P35499 1/20 0.47
LTA4H P09960 3/20 0.44
HTR1A P08908 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CHEK1 O14757 2/20 0.36
SRD5A2 P31213 1/20 0.36
NCF1 P14598 1/20 0.35
IGFBP3 P17936 1/20 0.34
HTR7 P34969 2/20 0.34
HTR6 P50406 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HTR2B P41595 1/20 0.34
HTR3A P46098 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR2A P28223 1/20 0.33

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
SCHEMBL3053528 0.96 SCN9A (0.50) SCN9ASCN4ALTA4HHTR1ASLC6A2
SCHEMBL3067535 0.82 SCN9A (0.36) SCN9ASCN4ALTA4HSRD5A2IGFBP3
SCHEMBL3058392 0.79 SMN1; SMN2 (0.45) MAPT
SCHEMBL3064525 0.75 SMN1; SMN2 (0.42) KDM4EMAPT
SCHEMBL3048997 0.75 DCTPP1 (0.34) MAPT
SCHEMBL3066650 0.75 KMT2A (0.46) SCN9AKDM4EMAPT
SCHEMBL3051045 0.73 SCN9A (0.45) SCN9AKDM4EMAPT
SCHEMBL3060136 0.73 MAPT (0.43) KDM4EMAPT
SCHEMBL3067575 0.73 FAAH (0.46) MAPT
SCHEMBL3058433 0.72 MAPT (0.40) MAPT

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 SCN9A 3960/4885SCN4A 2260/4885LTA4H 1370/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885SCN4A 2260/4885LTA4H 1370/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 SCN9A 3960/4885SCN4A 2260/4885LTA4H 1370/4885

“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.