SCHEMBL1021327

SCHEMBL1021327

CC(CNS(=O)(=O)c1cccs1)Nc1nc(Cc2ccccc2)ns1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LIMK2 P53671 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
SCHEMBL1020255 0.92 HTT (0.42) CYP2C9CYP2C19CYP2D6CYP1A2CYP3A4
SCHEMBL1020254 0.91 CYP2C9 (0.40) CYP2C9CYP2C19CYP2D6CYP1A2CYP3A4
SCHEMBL1020710 0.91 MAPT (0.41) CYP2C9CYP2C19CYP2D6CYP1A2CYP3A4
SCHEMBL1024056 0.89 HPGD (0.43) CYP2C9CYP2C19CYP2D6CYP1A2CYP3A4
SCHEMBL1020150 0.89 MEN1 (0.45) CYP2C9CYP2C19CYP2D6CYP1A2CYP3A4
SCHEMBL1019643 0.89 ALDH1A1 (0.36) CYP2C9CYP2C19CYP2D6CYP1A2CYP3A4
SCHEMBL1021482 0.87 TP53 (0.39) CYP2C9CYP2C19CYP2D6CYP1A2CYP3A4
SCHEMBL1021080 0.87 PKM (0.47) ALDH1A1TP53MEN1KMT2ALMNA
SCHEMBL1019638 0.86 ALDH1A1 (0.40) CYP2C9CYP2C19CYP2D6CYP1A2CYP3A4
SCHEMBL1021126 0.85 LMNA (0.42) CYP2C9CYP2C19CYP2D6CYP1A2CYP3A4

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.