SCHEMBL1021213

SCHEMBL1021213

COc1cccc(Cc2nsc(NCCN(C)S(=O)(=O)c3cccs3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
SQLE Q14534 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TNF P01375 1/20 0.37
KMT2A Q03164 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
ROCK2 O75116 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
SCHEMBL1021106 0.90 MAPT (0.46) MAPTL3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1019338 0.88 POLB (0.41) MAPTL3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1020062 0.88 POLB (0.39) MAPTL3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1021771 0.87 ALDH1A1 (0.41) MAPTL3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1020130 0.86 BMP1 (0.42) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL1020393 0.85 PKM (0.53) MAPTSMN1; SMN2PKMRAB9AALDH1A1
SCHEMBL1020707 0.84 MAPT (0.43) MAPTL3MBTL1SMN1; SMN2PKMRAB9A
SCHEMBL1020198 0.84 PKM (0.57) MAPTSMN1; SMN2PKMALDH1A1POLB
SCHEMBL1019497 0.83 POLB (0.41) MAPTL3MBTL1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1022704 0.83 NPC1 (0.40) MAPTL3MBTL1SMN1; SMN2RAB9AALDH1A1

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 MAPT 4/4885L3MBTL1 1449/4885SMN1; SMN2 8/4885

“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.