SCHEMBL1021184

SCHEMBL1021184

Cc1ccccc1Cc1nsc(NCCCCCCN)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.38
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
HTR6 P50406 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ACHE P22303 5/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL1019285 1.00 CHRM2 (0.38) CHRM2TLR8TLR7HTR6TAAR1
SCHEMBL1020808 0.99 TLR8 (0.37) CHRM2TLR8TLR7HTR6TAAR1
SCHEMBL1021103 0.95 TLR8 (0.38) CHRM2TLR8TLR7HTR6TAAR1
SCHEMBL1023487 0.90 TAAR1 (0.39) CHRM2TLR8TLR7HTR6TAAR1
SCHEMBL1020624 0.86 CDK7 (0.38) TLR8TLR7HTR6TAAR1ACHE
SCHEMBL1022332 0.86 CDK7 (0.38) TLR8TLR7HTR6TAAR1ACHE
SCHEMBL1020168 0.86 HTR6 (0.36) CHRM2TLR8TLR7HTR6CYP1A2
SCHEMBL1019846 0.85 TLR8 (0.37) TLR8TLR7HTR6TAAR1
SCHEMBL1020713 0.85 CHRM2 (0.51) CHRM2TLR8TLR7TAAR1ACHE
SCHEMBL1020832 0.85 CHRM2 (0.51) CHRM2TLR8TLR7TAAR1ACHE

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 CHRM2 3891/4885TLR8 3950/4885TLR7 4508/4885

“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.