SCHEMBL3045260

SCHEMBL3045260

CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCN(c2nc(Cc3ccccc3[N+](=O)[O-])ns2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GBA1 P04062 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL3057483 0.90 HSD11B1 (0.43) PKMALDH1A1KMT2AMEN1POLB
SCHEMBL3067199 0.86 PKM (0.41) PKMALDH1A1KMT2AMEN1POLB
SCHEMBL3061321 0.85 KMT2A (0.44) PKMALDH1A1KMT2AMEN1GBA1
SCHEMBL3067129 0.84 HSD11B1 (0.48) PKMALDH1A1KMT2AGBA1POLB
SCHEMBL3057085 0.84 MAPT (0.48) ALDH1A1KMT2AGBA1POLBHSD11B1
SCHEMBL3051785 0.83 ALDH1A1 (0.43) PKMALDH1A1KMT2AMEN1POLB
SCHEMBL3058869 0.83 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1POLBHTT
SCHEMBL3054154 0.82 L3MBTL1 (0.51) ALDH1A1KMT2AMEN1HSD11B1
SCHEMBL3062177 0.82 KMT2A (0.42) ALDH1A1KMT2AMEN1GBA1POLB
SCHEMBL3053402 0.82 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1POLBHTT

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 PKM 1944/4885ALDH1A1 1930/4885KMT2A 1844/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885ALDH1A1 1930/4885KMT2A 1844/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885ALDH1A1 1930/4885KMT2A 1844/4885

“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.