SCHEMBL3053100

SCHEMBL3053100

COc1cccc(Cc2nsc(N3CCN(S(=O)(=O)CC(CCC(C)CC(C)(C)C)C(C)CC(C)(C)C)CC3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 3/20 0.33
PKM P14618 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FAAH O00519 1/20 0.33
USP2 O75604 1/20 0.33
RECQL P46063 1/20 0.33
CNR1 P21554 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPRB P23467 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL3044800 0.85 CNR1 (0.42) HTR6CNR1LMNAMEN1KMT2A
SCHEMBL3065168 0.85 HTR6 (0.43) HTR6SMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL3068815 0.85 CNR1 (0.35) HTR6SMN1; SMN2ALDH1A1MAPTCNR1
SCHEMBL3055629 0.85 CNR1 (0.35) HTR6CNR1
SCHEMBL3045809 0.82 CNR1 (0.42) CNR1
SCHEMBL3064241 0.82 HTR6 (0.47) HTR6SMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL3050730 0.81 HTR6 (0.43) HTR6SMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL3059384 0.80 HTR6 (0.45) HTR6SMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL3059905 0.78 HTR6 (0.43) HTR6SMN1; SMN2ALDH1A1MAPTPKM
SCHEMBL3060649 0.78 HTR6 (0.41) HTR6SMN1; SMN2ALDH1A1MAPTPKM

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 HTR6 2304/4885SMN1; SMN2 4/4885ALDH1A1 1930/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR6 2304/4885SMN1; SMN2 4/4885ALDH1A1 1930/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 HTR6 2304/4885SMN1; SMN2 4/4885ALDH1A1 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.