SCHEMBL1020799

SCHEMBL1020799

COc1cccc(Cc2nsc(NCCCCCCN)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTR6 P50406 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
LTA4H P09960 1/20 0.40
DHFR P00374 1/20 0.40
PRKACA P17612 1/20 0.39
ROCK1 Q13464 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA1 P30542 2/20 0.37

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
SCHEMBL1020605 1.00 CHRM2 (0.44) CHRM2TAAR1NPC1HSP90AA1HSP90AB1
SCHEMBL1019075 0.99 TAAR1 (0.44) CHRM2TAAR1NPC1HSP90AA1HSP90AB1
SCHEMBL1020717 0.95 TAAR1 (0.45) CHRM2TAAR1NPC1HSP90AA1HSP90AB1
SCHEMBL1020496 0.92 TAAR1 (0.46) CHRM2TAAR1NPC1HTR6CHRM1
SCHEMBL1020914 0.89 CHRM2 (0.51) CHRM2TAAR1NPC1HTR6CHRM1
SCHEMBL1020823 0.87 LMNA (0.40) CHRM2TAAR1NPC1HSP90AA1HSP90AB1
SCHEMBL1018351 0.87 LMNA (0.40) CHRM2TAAR1NPC1HSP90AA1HSP90AB1
SCHEMBL1020022 0.86 ALDH1A1 (0.39) TAAR1HSP90AA1HSP90AB1HTR6TLR8
SCHEMBL1022387 0.86 ALDH1A1 (0.39) TAAR1HSP90AA1HSP90AB1HTR6TLR8
SCHEMBL1022872 0.86 MAPT (0.41) CHRM2TAAR1NPC1HSP90AA1HSP90AB1

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 3891/4885TAAR1 2621/4885NPC1 777/4885

“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.