Sugi Predict

Sugi Predict / Compounds / SCHEMBL3056790

SCHEMBL3056790

SCHEMBL3056790

Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(c4nc(C(Cc5ccc(N(C)C)cc5)c5ccc(N)cc5)ns4)CC3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GBA1 P04062 2/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ GAA P10253 2/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL3049552 0.92 THRB (0.38) ALDH1A1SMN1; SMN2ALOX15HSD17B10MEN1
SCHEMBL3055757 0.91 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2ALOX15HSD17B10MEN1
SCHEMBL3060148 0.90 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2ALOX15HSD17B10MEN1
SCHEMBL3051665 0.89 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2ALOX15HSD17B10MEN1
SCHEMBL3059848 0.88 GAA (0.38) PKMALDH1A1SMN1; SMN2ALOX15HSD17B10
SCHEMBL3054042 0.88 NR3C1 (0.37) PKMALDH1A1SMN1; SMN2ALOX15HSD17B10
SCHEMBL3064709 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ALOX15HSD17B10MEN1
SCHEMBL3045610 0.86 KMT2A (0.37) ALDH1A1MEN1KMT2AMAPT
SCHEMBL3068829 0.86 PTGDR (0.36) ALDH1A1SMN1; SMN2ALOX15HSD17B10MEN1
SCHEMBL3068484 0.86 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2ALOX15HSD17B10MEN1

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 PKM 1944/4885ALDH1A1 1930/4885SMN1; SMN2 4/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885ALDH1A1 1930/4885SMN1; SMN2 4/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885ALDH1A1 1930/4885SMN1; SMN2 4/4885

“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.