SCHEMBL1019974

SCHEMBL1019974

COc1ccccc1Cc1nsc(NCCC(C)N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.39
LTA4H P09960 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
TLR8 Q9NR97 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
KDM1A O60341 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA2B P29275 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
SCHEMBL1021347 0.89 HTR6 (0.40) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1019113 0.88 HTR6 (0.40) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1021201 0.86 TAAR1 (0.43) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1021863 0.85 HTR6 (0.36) HTR6LTA4HTSHRMAPK1TLR7
SCHEMBL1020411 0.84 HTR6 (0.40) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1019634 0.84 HTR6 (0.37) HTR6ADORA2AADORA1TLR7GAA
SCHEMBL1021306 0.84 CHRM2 (0.44) HTR6LTA4HTLR7TLR8TAAR1
SCHEMBL1020925 0.83 CHRM2 (0.49) HTR6TSHRTLR7TLR8TAAR1
SCHEMBL1021456 0.82 HTR6 (0.38) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1020713 0.82 CHRM2 (0.51) TSHRTDP1TLR7MAPTTLR8

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 2082/4885LTA4H 1500/4885TSHR 3125/4885

“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.