Sugi Predict

Sugi Predict / Compounds / SCHEMBL3059481

SCHEMBL3059481

SCHEMBL3059481

Cc1nnc(-c2cccc(S(=O)(=O)N3CCCN(c4nc(Cc5ccccc5[N+](=O)[O-])ns4)CC3)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ TSHR P16473 2/20 0.37
▸ GPR174 Q9BXC1 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ PTBP1 P26599 1/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL3061572 0.85 NPSR1 (0.55) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3062177 0.83 KMT2A (0.42) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL3067129 0.82 HSD11B1 (0.48) MAPTKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3057483 0.81 HSD11B1 (0.43) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL3057085 0.79 MAPT (0.48) MAPTKMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3060337 0.79 GPR174 (0.41) MAPTMEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL3056021 0.79 ALDH1A1 (0.52) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3066297 0.78 GPR174 (0.39) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3058869 0.78 SMN1; SMN2 (0.43) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3051398 0.78 AKR1C3 (0.51) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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 MAPT 9/4885RAB9A 2845/4885MEN1 799/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885RAB9A 2845/4885MEN1 799/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885RAB9A 2845/4885MEN1 799/4885

“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.