SCHEMBL1021201

SCHEMBL1021201

COc1ccccc1Cc1nsc(NCCN)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
HTR6 P50406 2/20 0.41
CHRM2 P08172 1/20 0.40
LTA4H P09960 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
TLR8 Q9NR97 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM1A O60341 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
IDO1 P14902 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
SCHEMBL1021306 0.93 CHRM2 (0.44) TAAR1HTR6CHRM2LTA4HTLR7
SCHEMBL1020925 0.92 CHRM2 (0.49) TAAR1HTR6CHRM2TSHRTLR7
SCHEMBL1020832 0.91 CHRM2 (0.51) TAAR1CHRM2TSHRTDP1MAPT
SCHEMBL1020713 0.91 CHRM2 (0.51) TAAR1CHRM2TSHRTDP1MAPT
SCHEMBL1020411 0.89 HTR6 (0.40) HTR6CHRM2LTA4HGAAALDH1A1
SCHEMBL1019974 0.86 HTR6 (0.39) TAAR1HTR6LTA4HGAAALDH1A1
SCHEMBL1021347 0.84 HTR6 (0.40) HTR6LTA4HGAAALDH1A1TSHR
SCHEMBL1019973 0.83 TAAR1 (0.40) TAAR1HTR6CHRM2LTA4HGAA
SCHEMBL1023487 0.83 TAAR1 (0.39) TAAR1HTR6CHRM2LTA4HALDH1A1
SCHEMBL1019113 0.83 HTR6 (0.40) HTR6LTA4HGAAALDH1A1TSHR

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 TAAR1 2621/4885HTR6 2082/4885CHRM2 3891/4885

“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.