Sugi Predict

Sugi Predict / Compounds / SCHEMBL3065745

SCHEMBL3065745

SCHEMBL3065745

Cc1ccc(C#N)c(S(=O)(=O)N2CCCN(c3nc(C(O)c4ccc(Oc5ccccc5)cc4)ns3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ KDM4E B2RXH2 8/20 0.43
▸ MAPK1 P28482 5/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ CASP1 P29466 2/20 0.43
▸ CASP7 P55210 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ GBA1 P04062 2/20 0.34
▸ PKM P14618 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 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
SCHEMBL3058433 0.84 MAPT (0.40) MAPTKMT2A
SCHEMBL3048997 0.84 DCTPP1 (0.34) ALDH1A1MAPK1HPGDMAPTTSHR
SCHEMBL3066650 0.83 KMT2A (0.46) ALDH1A1KDM4EMAPK1L3MBTL1HPGD
SCHEMBL3060136 0.83 MAPT (0.43) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL3051045 0.83 SCN9A (0.45) ALDH1A1KDM4EMAPK1L3MBTL1HPGD
SCHEMBL3058392 0.82 SMN1; SMN2 (0.45) ALDH1A1HPGDMAPTHSD17B10TSHR
SCHEMBL3064525 0.81 SMN1; SMN2 (0.42) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL3045937 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL3054266 0.77 LMNA (0.34) ALDH1A1MAPK1MAPTHSD17B10TSHR
SCHEMBL3054766 0.77 POLB (0.40) ALDH1A1MAPK1HPGDMAPTHSD17B10

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 1930/4885KDM4E 4164/4885MAPK1 1449/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885KDM4E 4164/4885MAPK1 1449/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885KDM4E 4164/4885MAPK1 1449/4885

“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.