SCHEMBL3061572

SCHEMBL3061572

Cc1nc(-c2cccc(S(=O)(=O)N3CCCN(c4nc(Cc5ccccc5[N+](=O)[O-])ns4)CC3)c2)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 8/20 0.49
MAPT P10636 6/20 0.49
USP2 O75604 5/20 0.49
GAA P10253 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 3/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 7/20 0.49
HTT P42858 5/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 3/20 0.45
RAB9A P51151 1/20 0.43
RECQL P46063 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
HIF1A Q16665 1/20 0.40
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3056021 0.93 ALDH1A1 (0.52) NPSR1ALDH1A1MAPTUSP2GAA
SCHEMBL3059481 0.85 MAPT (0.42) NPSR1ALDH1A1MAPTUSP2LMNA
SCHEMBL3067129 0.83 HSD11B1 (0.48) NPSR1ALDH1A1MAPTGAAHSD17B10
SCHEMBL3057483 0.82 HSD11B1 (0.43) ALDH1A1MAPTGAALMNAHTT
SCHEMBL3062177 0.82 KMT2A (0.42) NPSR1ALDH1A1MAPTHSD17B10HPGD
SCHEMBL3065016 0.80 ALDH1A1 (0.39) NPSR1ALDH1A1MAPTHPGDLMNA
SCHEMBL3060337 0.80 GPR174 (0.41) NPSR1ALDH1A1MAPTGAALMNA
SCHEMBL3061169 0.79 FAAH (0.50) NPSR1ALDH1A1MAPTGAAHSD17B10
SCHEMBL3058869 0.78 SMN1; SMN2 (0.43) ALDH1A1MAPTGAALMNAHTT
SCHEMBL3051398 0.78 AKR1C3 (0.51) ALDH1A1MAPTGAAHTTKDM4E

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 1776/4885ALDH1A1 1930/4885MAPT 9/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NPSR1 1776/4885ALDH1A1 1930/4885MAPT 9/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 NPSR1 1776/4885ALDH1A1 1930/4885MAPT 9/4885

“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.