SCHEMBL3067199

SCHEMBL3067199

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP19A1 P11511 1/20 0.39
GSK3B P49841 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
SCHEMBL3045260 0.86 PKM (0.44) PKMALDH1A1KMT2AMEN1POLB
SCHEMBL3066601 0.83 MAPT (0.48) MAPTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL3053402 0.82 ALDH1A1 (0.61) MAPTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL3057483 0.82 HSD11B1 (0.43) PKMMAPTGAASMN1; SMN2LMNA
SCHEMBL3067129 0.80 HSD11B1 (0.48) PKMMAPTGAASMN1; SMN2LMNA
SCHEMBL3058869 0.80 SMN1; SMN2 (0.43) MAPTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL3058518 0.79 ALDH1A1 (0.49) MAPTGAASMN1; SMN2LMNAALDH1A1
SCHEMBL3061321 0.79 KMT2A (0.44) PKMMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL3051785 0.79 ALDH1A1 (0.43) PKMMAPTGAASMN1; SMN2LMNA
SCHEMBL3057085 0.78 MAPT (0.48) MAPTGAASMN1; SMN2LMNAALDH1A1

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 1944/4885MAPT 9/4885GAA 203/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885MAPT 9/4885GAA 203/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PKM 1944/4885MAPT 9/4885GAA 203/4885

“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.