SCHEMBL3055882

SCHEMBL3055882

Cc1nnc(-c2cccc(S(=O)(=O)N3CCN(c4nc(C5(c6ccccc6)CCC(=O)CC5)ns4)CC3C)c2)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.34
CCKBR P32239 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 5/20 0.32
USP2 O75604 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HSD11B1 P28845 4/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3063168 0.86 ALDH1A1 (0.46) NPSR1ALDH1A1USP2GAAL3MBTL1
SCHEMBL3065979 0.85 SMYD3 (0.37) L3MBTL1HSD11B1
SCHEMBL3058779 0.83 NPSR1 (0.37) NPSR1ALDH1A1GAAL3MBTL1CYP3A4
SCHEMBL3063678 0.82 L3MBTL1 (0.35) L3MBTL1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL3055000 0.81 HSD11B1 (0.43) GAAL3MBTL1KMT2AHSD11B1TDP1
SCHEMBL3054705 0.80 NR3C1 (0.37) L3MBTL1MEN1KMT2AHSD11B1
SCHEMBL3054367 0.80 HSD11B1 (0.42) L3MBTL1MEN1KMT2ASMN1; SMN2HSD11B1
SCHEMBL3058725 0.79 HSD11B1 (0.34) HSD11B1LMNAHPGD
SCHEMBL3060406 0.79 MMP1 (0.41) NPSR1ALDH1A1USP2GAAL3MBTL1
SCHEMBL3062049 0.79 MMP1 (0.35) L3MBTL1MEN1KMT2ASMN1; SMN2MAPT

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 NPSR1 1776/4885CCKBR 4839/4885POLB 3933/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NPSR1 1776/4885CCKBR 4839/4885POLB 3933/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NPSR1 1776/4885CCKBR 4839/4885POLB 3933/4885

“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.