SCHEMBL1020022

SCHEMBL1020022

Cc1cccc(Cc2nsc(NCCCCCN)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HTR6 P50406 1/20 0.38
THRB P10828 1/20 0.37
LTA4H P09960 1/20 0.36
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
TP53 P04637 1/20 0.34
KARS1 Q15046 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
SCHEMBL1022387 1.00 ALDH1A1 (0.39) ALDH1A1LMNATLR8TLR7TAAR1
SCHEMBL1018342 0.99 ALDH1A1 (0.40) ALDH1A1LMNATLR8TLR7TAAR1
SCHEMBL1020304 0.95 ALDH1A1 (0.40) ALDH1A1LMNATLR8TLR7TAAR1
SCHEMBL1021673 0.90 TAAR1 (0.42) ALDH1A1LMNATLR8TLR7TAAR1
SCHEMBL1021355 0.87 ALDH1A1 (0.43) ALDH1A1LMNATLR8TLR7TAAR1
SCHEMBL1020799 0.86 CHRM2 (0.44) ALDH1A1TLR8TLR7TAAR1HTR6
SCHEMBL1020605 0.86 CHRM2 (0.44) ALDH1A1TLR8TLR7TAAR1HTR6
SCHEMBL1021113 0.86 TAAR1 (0.38) TLR8TLR7TAAR1HTR6HTR2C
SCHEMBL1020704 0.86 TAAR1 (0.38) TLR8TLR7TAAR1HTR6HTR2C
SCHEMBL1020759 0.85 SYK (0.37) ALDH1A1LMNATLR8TLR7TAAR1

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 ALDH1A1 608/4885LMNA 1913/4885TLR8 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.