SCHEMBL1021329

SCHEMBL1021329

CCC(CCN)Nc1nc(Cc2cccc(OC)c2)ns1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
HTR6 P50406 1/20 0.39
PRKACA P17612 1/20 0.39
ROCK1 Q13464 1/20 0.39
LTA4H P09960 1/20 0.38
DHFR P00374 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ADORA1 P30542 1/20 0.36
LTB4R Q15722 1/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1019518 0.92 NPC1 (0.42) NPC1TAAR1HTR6PRKACAROCK1
SCHEMBL1021148 0.88 NPC1 (0.41) NPC1TAAR1HTR6PRKACAROCK1
SCHEMBL1019870 0.87 TAAR1 (0.42) NPC1TAAR1HTR6PRKACAROCK1
SCHEMBL1021362 0.87 MAPT (0.39) NPC1TAAR1HTR6LTA4HTAS1R3
SCHEMBL1020770 0.87 ALDH1A1 (0.38) NPC1TAAR1HTR6LTA4HIDO1
SCHEMBL1021234 0.85 NPC1 (0.38) NPC1TAAR1HTR6ALDH1A1TLR8
SCHEMBL1020496 0.82 TAAR1 (0.46) NPC1TAAR1HTR6PRKACAROCK1
SCHEMBL1020717 0.79 TAAR1 (0.45) NPC1TAAR1HTR6PRKACAROCK1
SCHEMBL1021330 0.79 HTR6 (0.41) NPC1TAAR1HTR6PRKACAROCK1
SCHEMBL1022058 0.79 CNR1 (0.32) TAAR1HTR6LTA4HALDH1A1

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.