SCHEMBL1019495

SCHEMBL1019495

Cc1cccc(Cc2nsc(NCCCNS(=O)(=O)c3cccs3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL1020921 0.94 CYP2C9 (0.47) NPY5RALDH1A1POLBCYP2D6CYP2C9
SCHEMBL1021038 0.89 TSHR (0.47) NPY5RPKMALDH1A1CYP2D6CYP2C9
SCHEMBL1020198 0.89 PKM (0.57) NPY5RPKMALDH1A1POLBCYP2D6
SCHEMBL1020098 0.89 NPY5R (0.44) NPY5RPKMCYP2D6CYP2C9CYP2C19
SCHEMBL1023622 0.88 NPY5R (0.51) NPY5RPKMALDH1A1POLBCYP2D6
SCHEMBL1020941 0.86 NPY5R (0.42) NPY5RPKMALDH1A1CYP2D6CYP2C9
SCHEMBL1020393 0.84 PKM (0.53) NPY5RPKMALDH1A1POLBCYP2D6
SCHEMBL1019556 0.83 NPY5R (0.46) NPY5RPKMCYP2D6CYP2C9CYP2C19
SCHEMBL1019761 0.83 NPY5R (0.46) NPY5RPKMCYP2D6CYP2C9CYP2C19
SCHEMBL1020992 0.83 CYP2C9 (0.50) NPY5RPKMALDH1A1CYP2D6CYP2C9

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 4220/4885PKM 1326/4885ALDH1A1 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.