Sugi Predict

Sugi Predict / Compounds / SCHEMBL3059374

SCHEMBL3059374

SCHEMBL3059374

CN(C)c1ccc(CC(c2ccc(N)cc2)c2nsc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.39
▸ GPR6 P46095 2/20 0.36
▸ F10 P00742 1/20 0.36
▸ CYP17A1 P05093 2/20 0.34
▸ CYP21A2 P08686 2/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ SCN9A Q15858 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33

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
SCHEMBL3059848 0.91 GAA (0.38) GBA1GPR6ALDH1A1KDM4EHPGD
SCHEMBL3068820 0.88 TRPV4 (0.37) GPR6MAPTKMT2A
SCHEMBL3069190 0.88 KMT2A (0.46) GBA1ALDH1A1KDM4EGAAUSP2
SCHEMBL3061118 0.85 TSHR (0.35) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3055757 0.85 ALDH1A1 (0.37) ALDH1A1HSD17B10GAAMAPTMEN1
SCHEMBL3062699 0.84 NPSR1 (0.47) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL3051779 0.83 ALDH1A1 (0.34) GBA1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3059099 0.83 KMT2A (0.33) ALDH1A1MAPK1MEN1KMT2ARXFP1
SCHEMBL3054042 0.83 NR3C1 (0.37) ALDH1A1HPGDHSD17B10USP2PKM
SCHEMBL3045610 0.83 KMT2A (0.37) ALDH1A1KDM4EMAPK1MAPTMEN1

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 GBA1 14/4885GPR6 4603/4885F10 4619/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GBA1 14/4885GPR6 4603/4885F10 4619/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GBA1 14/4885GPR6 4603/4885F10 4619/4885

“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.