SCHEMBL1020198

SCHEMBL1020198

COc1cccc(Cc2nsc(NCCCNS(=O)(=O)c3cccs3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
ALDH1A1 P00352 5/20 0.45
NPY5R Q15761 1/20 0.43
CLK1 P49759 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
TNF P01375 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 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
SCHEMBL1020393 0.95 PKM (0.53) PKMALDH1A1NPY5RCLK1SMN1; SMN2
SCHEMBL1021105 0.91 ALDH1A1 (0.51) PKMALDH1A1NPY5RCLK1SMN1; SMN2
SCHEMBL1019495 0.89 NPY5R (0.44) PKMALDH1A1NPY5RMEN1HTT
SCHEMBL1020098 0.87 NPY5R (0.44) PKMNPY5RLMNAMAPTCYP2D6
SCHEMBL1020037 0.87 ALDH1A1 (0.50) PKMALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1023622 0.86 NPY5R (0.51) PKMALDH1A1NPY5RMAPTKDM4E
SCHEMBL1020793 0.85 ALDH1A1 (0.48) PKMALDH1A1CLK1SMN1; SMN2LMNA
SCHEMBL1021080 0.84 PKM (0.47) PKMALDH1A1CLK1SMN1; SMN2LMNA
SCHEMBL1021213 0.84 MAPT (0.46) PKMALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1021038 0.84 TSHR (0.47) PKMALDH1A1NPY5RMEN1HTT

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 PKM 1326/4885ALDH1A1 608/4885NPY5R 4220/4885

“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.