SCHEMBL3051687

SCHEMBL3051687

O=[N+]([O-])c1ccccc1Cc1nsc(N2CCCN(S(=O)(=O)c3ccc(-n4cccn4)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 1/20 0.39
HSD11B1 P28845 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 3/20 0.37
PKM P14618 2/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35

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 0.86 HSD11B1 (0.43) GPR174HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL3054154 0.84 L3MBTL1 (0.51) GPR174HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL3058869 0.84 SMN1; SMN2 (0.43) GPR174HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL3067129 0.84 HSD11B1 (0.48) GPR174HSD11B1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3057085 0.84 MAPT (0.48) GPR174HSD11B1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3060337 0.82 GPR174 (0.41) GPR174HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL3053402 0.81 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3065016 0.80 ALDH1A1 (0.39) GPR174HSD11B1KMT2AMEN1ALDH1A1
SCHEMBL3045260 0.80 PKM (0.44) HSD11B1KMT2AMEN1ALDH1A1PKM
SCHEMBL3056021 0.80 ALDH1A1 (0.52) GPR174HSD11B1KMT2AMEN1ALDH1A1

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 GPR174 3387/4885HSD11B1 136/4885KMT2A 1844/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GPR174 3387/4885HSD11B1 136/4885KMT2A 1844/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GPR174 3387/4885HSD11B1 136/4885KMT2A 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.