SCHEMBL1019712

SCHEMBL1019712

Cc1ccccc1Cc1nsc(NCCCNS(=O)(=O)c2cccs2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.48
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL1020139 0.94 CYP2C9 (0.49) NPY5RCYP2D6CYP2C9CYP2C19TP53
SCHEMBL1021488 0.88 NPY5R (0.48) NPY5RCYP2D6CYP2C9CYP2C19TP53
SCHEMBL1019750 0.88 NPY5R (0.46) NPY5RCYP2D6CYP2C9CYP2C19MAPK1
SCHEMBL1023622 0.86 NPY5R (0.51) NPY5RCYP2D6CYP2C9CYP2C19TP53
SCHEMBL1021038 0.85 TSHR (0.47) NPY5RCYP2D6CYP2C9CYP2C19TP53
SCHEMBL1019495 0.83 NPY5R (0.44) NPY5RCYP2D6CYP2C9CYP2C19TP53
SCHEMBL1020941 0.82 NPY5R (0.42) NPY5RCYP2D6CYP2C9CYP2C19TP53
SCHEMBL1019529 0.82 CYP2D6 (0.49) NPY5RCYP2D6CYP2C9CYP2C19TP53
SCHEMBL1020847 0.82 ALDH1A1 (0.49) MEN1KMT2AHTR2AHTR7USP2
SCHEMBL1021482 0.82 TP53 (0.39) CYP2D6CYP2C9CYP2C19TP53MAPK1

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 4220/4885CYP2D6 4262/4885CYP2C9 4583/4885

“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.