SCHEMBL3045290

SCHEMBL3045290

COc1cccc(Cc2nsc(N3CCN(C(=O)Nc4cccc(-c5csc(C)n5)c4)CC3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.65
MAPK1 P28482 5/20 0.65
ALDH1A1 P00352 8/20 0.59
LMNA P02545 8/20 0.59
HTT P42858 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
FAAH O00519 4/20 0.59
TP53 P04637 2/20 0.59
GAA P10253 2/20 0.59
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX12 P18054 1/20 0.49

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
SCHEMBL3058367 0.84 FAAH (0.61) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3058864 0.82 FAAH (0.59) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3061169 0.81 FAAH (0.50) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3067175 0.80 FAAH (0.56) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3050967 0.80 FAAH (0.56) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3063843 0.80 FAAH (0.56) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3065676 0.80 FAAH (0.56) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3055673 0.78 FAAH (0.51) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3059884 0.77 MAPT (0.54) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3056905 0.77 FAAH (0.60) MAPTMAPK1ALDH1A1LMNAHTT

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 MAPT 9/4885MAPK1 1449/4885ALDH1A1 1930/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885MAPK1 1449/4885ALDH1A1 1930/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MAPT 9/4885MAPK1 1449/4885ALDH1A1 1930/4885

“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.