SCHEMBL1021402

SCHEMBL1021402

CCCC(CN)Nc1nc(Cc2cccc(F)c2)ns1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
HTR6 P50406 1/20 0.38
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
TAAR1 Q96RJ0 2/20 0.34
AKT1 P31749 2/20 0.33
AKT2 P31751 2/20 0.33
AKT3 Q9Y243 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
KCNH2 Q12809 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32
NLRP3 Q96P20 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CHRM4 P08173 1/20 0.32
CIT O14578 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL1021871 0.91 NPC1 (0.39) NPC1HTR6TLR8TLR7TAAR1
SCHEMBL1020848 0.89 ALDH1A1 (0.38) NPC1HTR6TLR8TLR7TAAR1
SCHEMBL1021234 0.87 NPC1 (0.38) NPC1HTR6TLR8TLR7TAAR1
SCHEMBL1019377 0.86 ALDH1A1 (0.35) HTR6TLR8TLR7KCNH2HTR2C
SCHEMBL1021148 0.85 NPC1 (0.41) NPC1HTR6TLR8TLR7TAAR1
SCHEMBL1021369 0.84 MPO (0.34) TLR7MPO
SCHEMBL1023660 0.82 NPC1 (0.39) NPC1HTR6TLR8TLR7TAAR1
SCHEMBL1020608 0.81 TAS1R3 (0.34) HTR6TLR8TLR7KCNH2MEN1
SCHEMBL1021403 0.80 AKT1 (0.40) NPC1HTR6TLR8TLR7TAAR1
SCHEMBL1020631 0.80 HTR6 (0.35) NPC1HTR6TLR8TLR7TAAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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 (1 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP NPC1 777/4885HTR6 2082/4885TLR8 3950/4885

“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.