SCHEMBL1020139

SCHEMBL1020139

Cc1ccccc1Cc1nsc(NCCNS(=O)(=O)c2cccs2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY5R Q15761 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
ATM Q13315 1/20 0.41
ADORA2A P29274 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1019712 0.94 NPY5R (0.48) CYP2C9CYP2C19CYP2D6TP53MAPK1
SCHEMBL1019529 0.88 CYP2D6 (0.49) CYP2C9CYP2C19CYP2D6TP53HTT
SCHEMBL1020809 0.87 CYP2D6 (0.46) CYP2C9CYP2C19CYP2D6TP53MEN1
SCHEMBL1020397 0.85 CYP2D6 (0.53) CYP2C9CYP2C19CYP2D6TP53HTT
SCHEMBL1020992 0.84 CYP2C9 (0.50) CYP2C9CYP2C19CYP2D6TP53MAPK1
SCHEMBL1021991 0.83 MAPT (0.44) TP53HTTMEN1KMT2ANPC1
SCHEMBL1021482 0.83 TP53 (0.39) CYP2C9CYP2C19CYP2D6TP53MAPK1
SCHEMBL1020921 0.82 CYP2C9 (0.47) CYP2C9CYP2C19CYP2D6TP53HTT
SCHEMBL1021488 0.82 NPY5R (0.48) CYP2C9CYP2C19CYP2D6TP53MAPK1
SCHEMBL1019750 0.82 NPY5R (0.46) CYP2C9CYP2C19CYP2D6MAPK1MEN1

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 6 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 claimed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP claimed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US claimed
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 CYP2C9 4583/4885CYP2C19 3887/4885CYP2D6 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.