SCHEMBL3068829

SCHEMBL3068829

CN(C)c1ccc(CC(c2ccc(N)cc2)c2nsc(N3CCN(S(=O)(=O)c4ccc(-n5cccn5)cc4)CC3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
AURKA O14965 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL3055757 0.88 ALDH1A1 (0.37) MEN1KMT2AALDH1A1ALOX15SMN1; SMN2
SCHEMBL3054042 0.86 NR3C1 (0.37) PTGDRMEN1KMT2APOLBALDH1A1
SCHEMBL3056790 0.86 PKM (0.36) MEN1KMT2AALDH1A1ALOX15SMN1; SMN2
SCHEMBL3068484 0.85 L3MBTL1 (0.45) MEN1KMT2AALDH1A1ALOX15SMN1; SMN2
SCHEMBL3059848 0.85 GAA (0.38) MEN1KMT2AALDH1A1ALOX15SMN1; SMN2
SCHEMBL3049552 0.84 THRB (0.38) MEN1KMT2AALDH1A1ALOX15SMN1; SMN2
SCHEMBL3064709 0.83 ALDH1A1 (0.46) MEN1KMT2APOLBALDH1A1ALOX15
SCHEMBL3045788 0.83 MAPT (0.36) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL3045610 0.83 KMT2A (0.37) MEN1KMT2AALDH1A1MAPT
SCHEMBL3051665 0.83 ALDH1A1 (0.39) MEN1KMT2APOLBALDH1A1ALOX15

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 PTGDR 1086/4885MEN1 799/4885KMT2A 1844/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PTGDR 1086/4885MEN1 799/4885KMT2A 1844/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PTGDR 1086/4885MEN1 799/4885KMT2A 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.