SCHEMBL1021223

SCHEMBL1021223

COc1ccccc1Cc1nsc(N(C)CCN)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
AOC3 Q16853 1/20 0.42
HTR6 P50406 1/20 0.41
LTA4H P09960 1/20 0.39
CHRM2 P08172 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 3/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL1020739 0.87 CHRM2 (0.38) AOC3HTR6LTA4HCHRM2ALDH1A1
SCHEMBL1019764 0.84 AOC3 (0.40) TAAR1AOC3HTR6ADORA2AADORA1
SCHEMBL1022370 0.84 TAAR1 (0.38) TAAR1HTR6LTA4HALDH1A1
SCHEMBL1022394 0.79 CARM1 (0.41) TAAR1AOC3HTR6ALDH1A1L3MBTL1
SCHEMBL1021067 0.78 TAS2R14 (0.40) ALDH1A1L3MBTL1TSHRGAAMAPT
SCHEMBL1020111 0.78 NOS2 (0.44) TAAR1AOC3HTR6LTA4HALDH1A1
SCHEMBL1020792 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRGAAMAPT
SCHEMBL1020996 0.77 GAA (0.44) ALDH1A1L3MBTL1TSHRGAAMAPT
SCHEMBL1019394 0.76 TAAR1 (0.45) TAAR1AOC3HTR6LTA4HADORA1
SCHEMBL1020728 0.74 AOC3 (0.36) TAAR1AOC3HTR6ADORA2AALDH1A1

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 2621/4885AOC3 810/4885HTR6 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.