SCHEMBL3064839

SCHEMBL3064839

O=C(c1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCN(c2nc(C(O)c3ccc(Oc4ccccc4)cc3)ns2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.40
CHEK1 O14757 2/20 0.40
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 3/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FAAH O00519 2/20 0.37
SCN9A Q15858 2/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MGLL Q99685 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
SCN7A Q01118 1/20 0.36
KCNH2 Q12809 1/20 0.36
STAT3 P40763 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
SCHEMBL3053528 0.70 SCN9A (0.50) CHEK1MAPTSCN9A
SCHEMBL3540337 0.70 TLR7 (0.55) TLR7MAPTSMN1; SMN2HTTLMNA
SCHEMBL3066676 0.69 FAAH (0.62) MAPTFAAHLMNAMAPK1ALDH1A1
SCHEMBL3050205 0.68 FAAH (0.54) MAPTFAAHLMNAALDH1A1STAT3
SCHEMBL3055128 0.68 FAAH (0.51) FAAH
SCHEMBL3060546 0.68 FAAH (0.54) FAAH
SCHEMBL3059884 0.68 MAPT (0.54) MAPTSMN1; SMN2HTTCYP3A4GAA
SCHEMBL3062959 0.68 TACR3 (0.47) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL3059798 0.68 SCN9A (0.47) CHEK1MAPTSCN9A
SCHEMBL3054419 0.67 KDM4E (0.47) MAPTSMN1; SMN2HTTGAAFAAH

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 TLR7 4476/4885CHEK1 1580/4885MAPT 9/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TLR7 4476/4885CHEK1 1580/4885MAPT 9/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 TLR7 4476/4885CHEK1 1580/4885MAPT 9/4885

“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.