SCHEMBL1024070

SCHEMBL1024070

CCC(CN)Nc1nc(Cc2ccccc2OC)ns1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
LTA4H P09960 1/20 0.37
TLR7 Q9NYK1 5/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL1021346 0.91 TAAR1 (0.38) HTR6TAAR1LTA4HTLR7TSHR
SCHEMBL1021454 0.91 TLR7 (0.39) HTR6TAAR1LTA4HTLR7TSHR
SCHEMBL1018499 0.85 HTR6 (0.36) HTR6TAAR1LTA4HTLR7MAPK1
SCHEMBL1021227 0.84 HTR6 (0.37) HTR6TAAR1TLR7ADORA2AADORA1
SCHEMBL1019973 0.82 TAAR1 (0.40) HTR6TAAR1LTA4HTLR7TSHR
SCHEMBL1021201 0.81 TAAR1 (0.43) HTR6TAAR1LTA4HTLR7TSHR
SCHEMBL1024071 0.80 HTR6 (0.39) HTR6LTA4HTLR7TSHRMAPK1
SCHEMBL1021253 0.79 MAPT (0.40) HTR6TAAR1LTA4HMAPK1ALDH1A1
SCHEMBL1021347 0.78 HTR6 (0.40) HTR6LTA4HTLR7TSHRMAPK1
SCHEMBL1019518 0.78 NPC1 (0.42) HTR6TAAR1LTA4HTLR7ADORA1

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 HTR6 2082/4885TAAR1 2621/4885LTA4H 1500/4885

“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.