Sugi Predict

Sugi Predict / Compounds / SCHEMBL3063398

SCHEMBL3063398

SCHEMBL3063398

CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(Cc4ccc(Oc5ccc(C)cc5)cc4)ns3)CC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ BCHE P06276 6/20 0.47
▸ CNR1 P21554 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.42
▸ LPAR1 Q92633 1/20 0.41
▸ LPAR2 Q9HBW0 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39

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
SCHEMBL3065977 0.88 KMT2A (0.53) ACHEALDH1A1MAPTMEN1LMNA
SCHEMBL3064336 0.84 ALDH1A1 (0.45) ACHEALDH1A1BCHECNR1KDM2B
SCHEMBL2008876 0.82 MEN1 (0.59) ALDH1A1CNR1MAPTMEN1LMNA
SCHEMBL3062212 0.82 PKM (0.44) ALDH1A1CNR1MEN1LMNAKMT2A
SCHEMBL3059641 0.82 MCL1 (0.42) CNR1MAPTMEN1KMT2AHDAC3
SCHEMBL3054823 0.81 KMT2A (0.43) ALDH1A1CNR1MEN1LMNAKMT2A
SCHEMBL3058037 0.81 MAPT (0.46) ALDH1A1CNR1MAPTMEN1LMNA
SCHEMBL3053842 0.81 THRB (0.43) ALDH1A1CNR1MEN1LMNAKMT2A
SCHEMBL3063208 0.81 SCN9A (0.46) CNR1MAPTMEN1LMNAKMT2A
SCHEMBL3055305 0.81 TNF (0.50) ALDH1A1MEN1LMNAKMT2ASMN1; SMN2

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 ACHE 2964/4885ALDH1A1 1930/4885BCHE 3849/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ACHE 2964/4885ALDH1A1 1930/4885BCHE 3849/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ACHE 2964/4885ALDH1A1 1930/4885BCHE 3849/4885

“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.