SCHEMBL1019870

SCHEMBL1019870

COc1cccc(Cc2nsc(NC(C)CCN)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
NPC1 O15118 1/20 0.42
HTR6 P50406 1/20 0.41
PRKACA P17612 1/20 0.40
ROCK1 Q13464 1/20 0.40
LTA4H P09960 1/20 0.39
DHFR P00374 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP1A2 P05177 2/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
PGR P06401 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
NQO2 P16083 1/20 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
SCHEMBL1021329 0.87 NPC1 (0.41) TAAR1NPC1HTR6PRKACAROCK1
SCHEMBL1020398 0.86 MAPT (0.40) TAAR1NPC1HTR6LTA4HCYP1A2
SCHEMBL1021316 0.85 ALDH1A1 (0.39) TAAR1NPC1HTR6LTA4HMPO
SCHEMBL1023660 0.84 NPC1 (0.39) TAAR1NPC1HTR6CYP1A2MPO
SCHEMBL1020496 0.84 TAAR1 (0.46) TAAR1NPC1HTR6PRKACAROCK1
SCHEMBL1021148 0.83 NPC1 (0.41) TAAR1NPC1HTR6PRKACAROCK1
SCHEMBL1019518 0.83 NPC1 (0.42) TAAR1NPC1HTR6PRKACAROCK1
SCHEMBL13718512 0.82 NPC1 (0.40) TAAR1NPC1PRKACAROCK1LTA4H
SCHEMBL13820274 0.82 TAAR1 (0.41) TAAR1NPC1HTR6PRKACAROCK1
SCHEMBL1020717 0.81 TAAR1 (0.45) TAAR1NPC1HTR6PRKACAROCK1

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 777/4885HTR6 2082/4885

“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.