SCHEMBL2014369

SCHEMBL2014369

COc1cccc(Cc2nsc(N3CCCCNC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
CASP1 P29466 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
HTR1B P28222 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NMT1 P30419 7/20 0.40
LTA4H P09960 1/20 0.40
EED O75530 1/20 0.40
GAA P10253 2/20 0.39
KCNQ2 O43526 1/20 0.39
ADRB1 P08588 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL2008345 0.88 ADRB1 (0.47) HTR6CASP1CASP4CASP5HTR1B
SCHEMBL1022439 0.86 ADRB1 (0.51) HTR6HTR1BNMT1ADRB1ALDH1A1
SCHEMBL2014367 0.83 HTR6 (0.44) HTR6CASP1CASP4CASP5HTR1B
SCHEMBL2005739 0.79 HTR6 (0.44) HTR6CASP1CASP4CASP5HTR1B
SCHEMBL2007283 0.78 HTR6 (0.42) HTR6HTR1BHRH3NMT1EED
SCHEMBL3064241 0.76 HTR6 (0.47) HTR6CASP1CASP4CASP5LTA4H
SCHEMBL2004188 0.75 HTR3A (0.46) HTR6HTR1BADRB1SIGMAR1
SCHEMBL3067623 0.74 HTR6 (0.43) HTR6CASP1CASP4CASP5HRH3
SCHEMBL2005415 0.74 HTR2C (0.45) HTR6ADRB1MEN1POLBKMT2A
SCHEMBL8206282 0.74 ALDH1A1 (0.53) GAAALDH1A1MEN1POLBKMT2A

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 2082/4885CASP1 684/4885CASP4 1278/4885

“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.