SCHEMBL1019519

SCHEMBL1019519

CCC(N)CNc1nc(Cc2cccc(OC)c2)ns1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
HTR6 P50406 1/20 0.41
LTA4H P09960 1/20 0.39
DHFR P00374 1/20 0.39
ROCK1 Q13464 2/20 0.38
PRKACA P17612 1/20 0.38
APP P05067 1/20 0.38
PRKCI P41743 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR4 P22455 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 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
SCHEMBL1021149 0.92 NPC1 (0.41) NPC1TAAR1HTR6LTA4HDHFR
SCHEMBL1021330 0.89 HTR6 (0.41) NPC1TAAR1HTR6LTA4HDHFR
SCHEMBL1021097 0.89 TAAR1 (0.49) NPC1TAAR1HTR6LTA4HDHFR
SCHEMBL1021254 0.86 LMNA (0.40) NPC1HTR6LTA4HPRKCI
SCHEMBL1019639 0.85 ALDH1A1 (0.39) HTR6LTA4HAPPPRKCITLR8
SCHEMBL1021873 0.84 AKT1 (0.43) NPC1TAAR1HTR6APPTLR8
SCHEMBL1019871 0.83 TAAR1 (0.47) NPC1TAAR1HTR6LTA4HDHFR
SCHEMBL1020496 0.82 TAAR1 (0.46) NPC1TAAR1HTR6LTA4HDHFR
SCHEMBL1020717 0.81 TAAR1 (0.45) NPC1TAAR1HTR6LTA4HDHFR
SCHEMBL1020914 0.81 CHRM2 (0.51) NPC1TAAR1HTR6LTA4HDHFR

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 NPC1 777/4885TAAR1 2621/4885HTR6 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.