SCHEMBL1019459

SCHEMBL1019459

COc1ccc(Cc2nsc(CC(N)C(C)N)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 2/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR6 P50406 1/20 0.39
LTA4H P09960 2/20 0.39
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MPI P34949 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL1020816 0.85 TAAR1 (0.50) HTR6LTA4HIDO1AGXT
SCHEMBL1022396 0.85 HTR6 (0.35) HTR6LTA4HAGXTMAPTMAPK1
SCHEMBL1020820 0.84 SLC6A2 (0.41) SLC6A4ALDH1A1CYP1A2CYP2C19HTR6
SCHEMBL1021318 0.78 HTR6 (0.41) ALDH1A1ATMLMNAHTR6LTA4H
SCHEMBL1020508 0.77 MPO (0.37) SLC6A4
SCHEMBL1021524 0.76 HTR6 (0.40) SLC6A4ALDH1A1LMNAHPGDHTR6
SCHEMBL1081345 0.75 ALDH1A1 (0.53) ALDH1A1CYP2D6ATMLMNAHPGD
SCHEMBL17504539 0.74 SLC6A4 (0.71) SLC6A4CYP2D6CYP1A2CYP2C19IDO1
SCHEMBL1018460 0.73 SLC6A4 (0.43) SLC6A4ALDH1A1CYP2D6ATMLMNA
SCHEMBL6529435 0.73 LTA4H (0.46) ALDH1A1CYP2D6ATMLMNAHPGD

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 SLC6A4 3714/4885ALDH1A1 608/4885CYP2D6 4262/4885

“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.