SCHEMBL3051665

SCHEMBL3051665

CN(C)c1ccc(CC(c2ccc(N)cc2)c2nsc(N3CCN(S(=O)(=O)c4ccc(-c5csnn5)cc4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AURKA O14965 2/20 0.33
CHEK1 O14757 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
GRK5 P34947 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32

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
SCHEMBL3060148 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1ALOX15HSD17B10
SCHEMBL3056790 0.89 PKM (0.36) ALDH1A1SMN1; SMN2L3MBTL1ALOX15HSD17B10
SCHEMBL3055757 0.88 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2L3MBTL1ALOX15HSD17B10
SCHEMBL3049552 0.87 THRB (0.38) ALDH1A1SMN1; SMN2ALOX15HSD17B10AURKA
SCHEMBL3059848 0.85 GAA (0.38) ALDH1A1SMN1; SMN2L3MBTL1ALOX15HSD17B10
SCHEMBL3054042 0.84 NR3C1 (0.37) ALDH1A1SMN1; SMN2ALOX15HSD17B10AURKA
SCHEMBL3045610 0.84 KMT2A (0.37) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL3064709 0.83 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1ALOX15HSD17B10
SCHEMBL3068484 0.83 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1ALOX15HSD17B10
SCHEMBL3068829 0.83 PTGDR (0.36) ALDH1A1SMN1; SMN2ALOX15HSD17B10AURKA

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 ALDH1A1 1930/4885SMN1; SMN2 4/4885L3MBTL1 791/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885L3MBTL1 791/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885SMN1; SMN2 4/4885L3MBTL1 791/4885

“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.