SCHEMBL1019075

SCHEMBL1019075

COc1cccc(Cc2nsc(NCCCCN)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR6 P50406 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
LTA4H P09960 1/20 0.41
DHFR P00374 1/20 0.40
PRKACA P17612 1/20 0.39
ROCK1 Q13464 1/20 0.39
IDO1 P14902 2/20 0.38
AGXT P21549 2/20 0.38
ADORA1 P30542 2/20 0.38
SYK P43405 1/20 0.38
LTB4R Q15722 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL1020799 0.99 CHRM2 (0.44) TAAR1NPC1HSP90AA1HSP90AB1CHRM2
SCHEMBL1020605 0.99 CHRM2 (0.44) TAAR1NPC1HSP90AA1HSP90AB1CHRM2
SCHEMBL1020717 0.97 TAAR1 (0.45) TAAR1NPC1HSP90AA1HSP90AB1CHRM2
SCHEMBL1020496 0.93 TAAR1 (0.46) TAAR1NPC1CHRM2CHRM1CHRM3
SCHEMBL1020914 0.90 CHRM2 (0.51) TAAR1NPC1CHRM2CHRM1CHRM3
SCHEMBL1022872 0.87 MAPT (0.41) TAAR1NPC1HSP90AA1HSP90AB1CHRM2
SCHEMBL1018351 0.86 LMNA (0.40) TAAR1NPC1HSP90AA1HSP90AB1CHRM2
SCHEMBL1018342 0.86 ALDH1A1 (0.40) TAAR1HSP90AA1HSP90AB1HTR6TLR8
SCHEMBL1020823 0.86 LMNA (0.40) TAAR1NPC1HSP90AA1HSP90AB1CHRM2
SCHEMBL1022387 0.85 ALDH1A1 (0.39) TAAR1HSP90AA1HSP90AB1HTR6TLR8

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 TAAR1 2621/4885NPC1 777/4885HSP90AA1 131/4885

“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.