SCHEMBL3056905

SCHEMBL3056905

COc1cccc(Cc2nsc(N3CCN(C(=O)Nc4ccccc4SC)CC3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.60
MAPT P10636 5/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
CNR1 P21554 1/20 0.47
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL3063843 0.86 FAAH (0.56) FAAHMAPTHTTMAPK1ALDH1A1
SCHEMBL3050967 0.81 FAAH (0.56) FAAHMAPTHTTMAPK1ALDH1A1
SCHEMBL3067175 0.81 FAAH (0.56) FAAHMAPTHTTMAPK1ALDH1A1
SCHEMBL3055673 0.81 FAAH (0.51) FAAHMAPTHTTHSD17B10MAPK1
SCHEMBL3065676 0.81 FAAH (0.56) FAAHMAPTHTTMAPK1ALDH1A1
SCHEMBL3058864 0.80 FAAH (0.59) FAAHMAPTHTTHSD17B10MAPK1
SCHEMBL2006710 0.78 ALDH1A1 (0.51) FAAHMAPTHTTMAPK1ALDH1A1
SCHEMBL3056610 0.77 FAAH (0.61) FAAHMAPTHTTMAPK1ALDH1A1
SCHEMBL3045290 0.77 MAPT (0.65) FAAHMAPTHTTHSD17B10MAPK1
SCHEMBL3058367 0.76 FAAH (0.61) FAAHMAPTHTTMAPK1ALDH1A1

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 FAAH 2797/4885MAPT 9/4885HTT 2/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MAPT 9/4885HTT 2/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FAAH 2797/4885MAPT 9/4885HTT 2/4885

“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.