SCHEMBL1019750

SCHEMBL1019750

COc1ccccc1Cc1nsc(NCCCNS(=O)(=O)c2cccs2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.46
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EDNRB P24530 2/20 0.41
EDNRA P25101 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1020809 0.94 CYP2D6 (0.46) NPY5RGAAALDH1A1CYP2D6CYP2C9
SCHEMBL1019712 0.88 NPY5R (0.48) NPY5RALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL1021488 0.86 NPY5R (0.48) NPY5RGAAALDH1A1CYP2D6CYP2C9
SCHEMBL1020903 0.85 ALDH1A1 (0.49) GAAALDH1A1KDM4EPKMTSHR
SCHEMBL1021105 0.84 ALDH1A1 (0.51) NPY5RALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL1023622 0.83 NPY5R (0.51) NPY5RALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL1020198 0.83 PKM (0.57) NPY5RALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL1020985 0.83 ALDH1A1 (0.42) GAAALDH1A1KDM4ETSHRMEN1
SCHEMBL1019612 0.83 SMN1; SMN2 (0.41) GAAALDH1A1TSHRMEN1KMT2A
SCHEMBL1020139 0.82 CYP2C9 (0.49) NPY5RALDH1A1CYP2D6CYP2C9CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US claimed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP claimed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US claimed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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 (1 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP NPY5R 4220/4885GAA 205/4885ALDH1A1 608/4885

“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.