Sugi Predict

Sugi Predict / Compounds / SCHEMBL3049552

SCHEMBL3049552

SCHEMBL3049552

CN(C)c1ccc(CC(c2ccc(N)cc2)c2nsc(N3CCN(S(=O)(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)cc4)CC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ PGR P06401 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ AURKA O14965 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CRHBP P24387 1/20 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
SCHEMBL3056790 0.92 PKM (0.36) ALDH1A1SMN1; SMN2HSD17B10ALOX15AURKA
SCHEMBL3055757 0.89 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HSD17B10ALOX15AURKA
SCHEMBL3051665 0.87 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2HSD17B10ALOX15AURKA
SCHEMBL3059848 0.86 GAA (0.38) ALDH1A1SMN1; SMN2HSD17B10ALOX15MEN1
SCHEMBL3060148 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HSD17B10ALOX15AURKA
SCHEMBL3054042 0.86 NR3C1 (0.37) ALDH1A1SMN1; SMN2HSD17B10ALOX15AURKA
SCHEMBL3063679 0.85 ACHE (0.42) ALDH1A1SMN1; SMN2HSD17B10ALOX15MEN1
SCHEMBL3064709 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HSD17B10ALOX15MEN1
SCHEMBL3045610 0.84 KMT2A (0.37) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3068484 0.84 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2HSD17B10ALOX15MEN1

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 THRB 2602/4885ALDH1A1 1930/4885PGR 4763/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 THRB 2602/4885ALDH1A1 1930/4885PGR 4763/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 THRB 2602/4885ALDH1A1 1930/4885PGR 4763/4885

“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.