SCHEMBL2014367

SCHEMBL2014367

COc1cccc(Cc2nsc(N3CCCCCN3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
HTR1B P28222 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CASP1 P29466 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
LTA4H P09960 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL1022439 0.84 ADRB1 (0.51) HTR6HTR1BADRB1ALDH1A1SLC6A2
SCHEMBL2014369 0.83 HTR6 (0.44) HTR6HTR1BHRH3CASP1CASP4
SCHEMBL2008345 0.82 ADRB1 (0.47) HTR6HTR1BCASP1CASP4CASP5
SCHEMBL2007283 0.78 HTR6 (0.42) HTR6HTR1BHRH3ADRB1SLC6A2
SCHEMBL2005739 0.77 HTR6 (0.44) HTR6HTR1BCASP1CASP4CASP5
SCHEMBL3064241 0.74 HTR6 (0.47) HTR6CASP1CASP4CASP5LTA4H
SCHEMBL3066555 0.73 HTR6 (0.43) HTR6HRH3CASP1CASP4CASP5
SCHEMBL3067623 0.72 HTR6 (0.43) HTR6HRH3CASP1CASP4CASP5
SCHEMBL12643195 0.72 MAPT (0.42) HTR6HRH3SIGMAR1ALDH1A1KDM4E
SCHEMBL4684463 0.72 NMT1 (0.41) HTR6CASP1ADRB1ALDH1A1SLC6A2

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-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO 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 HTR6 2082/4885HTR1B 1020/4885HRH3 2765/4885

“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.