SCHEMBL1021148

SCHEMBL1021148

CCCC(CN)Nc1nc(Cc2cccc(OC)c2)ns1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
HTR6 P50406 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.39
TAS1R1 Q7RTX1 4/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
LTA4H P09960 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
DHFR P00374 1/20 0.38
PRKACA P17612 1/20 0.37
ROCK1 Q13464 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ADORA1 P30542 1/20 0.36
LTB4R Q15722 1/20 0.35
IDO1 P14902 1/20 0.35
AGXT P21549 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) NPC1HTR6TAS1R3TAS1R1TLR8
SCHEMBL1021329 0.88 NPC1 (0.41) NPC1HTR6TAS1R3TAS1R1TLR8
SCHEMBL1021152 0.87 TAS1R3 (0.39) NPC1HTR6TAS1R3TAS1R1TLR8
SCHEMBL1020848 0.87 ALDH1A1 (0.38) NPC1HTR6TAS1R3TAS1R1TLR8
SCHEMBL1021402 0.85 NPC1 (0.38) NPC1HTR6TLR8TLR7TAAR1
SCHEMBL1019870 0.83 TAAR1 (0.42) NPC1HTR6LTA4HTAAR1DHFR
SCHEMBL1021149 0.81 NPC1 (0.41) NPC1HTR6TLR8TLR7LTA4H
SCHEMBL1020496 0.80 TAAR1 (0.46) NPC1HTR6TLR8TLR7LTA4H
SCHEMBL1020608 0.79 TAS1R3 (0.34) HTR6TAS1R3TAS1R1TLR8TLR7
SCHEMBL1021454 0.79 TLR7 (0.39) HTR6TLR8TLR7LTA4HTAAR1

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 777/4885HTR6 2082/4885TAS1R3 605/4885

“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.