SCHEMBL1021318

SCHEMBL1021318

COc1ccccc1Cc1nsc(CC(N)C(C)N)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
IDO1 P14902 2/20 0.39
LTA4H P09960 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 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
SCHEMBL1020626 0.82 HTR6 (0.39) HTR6IDO1ADORA2AADORA1TAAR1
SCHEMBL1020816 0.76 TAAR1 (0.50) HTR6IDO1LTA4HADORA1TAAR1
SCHEMBL1019113 0.75 HTR6 (0.40) HTR6IDO1LTA4HADORA3ADORA2A
SCHEMBL1020748 0.74 HTR6 (0.36) HTR6IDO1ALDH1A1MAPK1TDP1
SCHEMBL1020993 0.73 ALDH1A1 (0.50) HTR6IDO1LTA4HADORA3ADORA2A
SCHEMBL1019974 0.73 HTR6 (0.39) HTR6IDO1LTA4HADORA3ADORA2A
SCHEMBL1020820 0.72 SLC6A2 (0.41) HTR6ADORA3ADORA2AADORA1ALDH1A1
SCHEMBL1021009 0.71 HTR6 (0.41) HTR6IDO1TAAR1ALDH1A1L3MBTL1
SCHEMBL1024071 0.71 HTR6 (0.39) HTR6LTA4HADORA3ADORA2AADORA1
SCHEMBL1019973 0.71 TAAR1 (0.40) HTR6IDO1LTA4HADORA3ADORA2A

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 5 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
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO 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 2082/4885IDO1 2556/4885LTA4H 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.