SCHEMBL3060337

SCHEMBL3060337

O=[N+]([O-])c1ccccc1Cc1nsc(N2CCCN(S(=O)(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)cc3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 2/20 0.41
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.41
VCAM1 P19320 2/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 3/20 0.37
HSD11B1 P28845 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
MEN1 O00255 1/20 0.36
ABL1 P00519 1/20 0.36

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
SCHEMBL3067129 0.89 HSD11B1 (0.48) GPR174POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL3057483 0.87 HSD11B1 (0.43) GPR174POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL3057085 0.84 MAPT (0.48) GPR174POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL3058869 0.84 SMN1; SMN2 (0.43) GPR174POLBFAAHSMN1; SMN2ALDH1A1
SCHEMBL3065016 0.84 ALDH1A1 (0.39) GPR174POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL3056021 0.83 ALDH1A1 (0.52) GPR174POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL3058518 0.82 ALDH1A1 (0.49) POLBSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL3061321 0.82 KMT2A (0.44) GPR174POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL3062177 0.82 KMT2A (0.42) GPR174POLBVCAM1SMN1; SMN2ALDH1A1
SCHEMBL3053402 0.82 ALDH1A1 (0.61) POLBSMN1; SMN2ALDH1A1LMNAMAPT

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 3387/4885POLB 3933/4885FAAH 2797/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GPR174 3387/4885POLB 3933/4885FAAH 2797/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 GPR174 3387/4885POLB 3933/4885FAAH 2797/4885

“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.