Sugi Predict

Sugi Predict / Compounds / SCHEMBL3065016

SCHEMBL3065016

SCHEMBL3065016

O=[N+]([O-])c1ccccc1Cc1nsc(N2CCCN(S(=O)(=O)c3ccc(-c4csnn4)cc3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GPR174 Q9BXC1 2/20 0.38
▸ HSD11B1 P28845 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP4 P49662 1/20 0.34

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
SCHEMBL3056021 0.87 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1GPR174HSD11B1
SCHEMBL3067129 0.86 HSD11B1 (0.48) ALDH1A1SMN1; SMN2GPR174HSD11B1PKM
SCHEMBL3057483 0.85 HSD11B1 (0.43) ALDH1A1SMN1; SMN2GPR174HSD11B1PKM
SCHEMBL3060337 0.84 GPR174 (0.41) ALDH1A1SMN1; SMN2GPR174HSD11B1MAPT
SCHEMBL3058869 0.83 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2GPR174HSD11B1MAPT
SCHEMBL3057085 0.83 MAPT (0.48) ALDH1A1SMN1; SMN2L3MBTL1GPR174HSD11B1
SCHEMBL3053402 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL3054154 0.80 L3MBTL1 (0.51) ALDH1A1SMN1; SMN2L3MBTL1GPR174HSD11B1
SCHEMBL3051687 0.80 GPR174 (0.39) ALDH1A1SMN1; SMN2GPR174HSD11B1PKM
SCHEMBL3061572 0.80 NPSR1 (0.55) ALDH1A1SMN1; SMN2L3MBTL1GPR174MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 — — US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 — — US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 — — US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 — — 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885L3MBTL1 791/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885L3MBTL1 791/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885L3MBTL1 791/4885

“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.