SCHEMBL2006176

SCHEMBL2006176

Cc1cccc(Cc2nsc(N3CCN(CCN)CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.49
DPP4 P27487 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KCNH2 Q12809 3/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
FAAH O00519 2/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL2005298 0.86 HTR6 (0.48) HTR6ALDH1A1TAAR1FAAHSIGMAR1
SCHEMBL2007843 0.86 CNR1 (0.47) HTR6DPP4HRH3CNR1ALDH1A1
SCHEMBL2002360 0.86 SIGMAR1 (0.48) HTR6CNR1ALDH1A1HRH4SIGMAR1
SCHEMBL2011056 0.83 ALDH1A1 (0.42) HTR6DPP4CNR1ALDH1A1SIGMAR1
SCHEMBL2009116 0.81 HTR2C (0.48) HTR6CNR1
SCHEMBL2009386 0.79 HTR6 (0.47) HTR6DPP4HRH3ALDH1A1KDM4E
SCHEMBL2006334 0.79 HTR6 (0.44) HTR6CNR1KDM4EMAPTSIGMAR1
SCHEMBL2007020 0.79 HTR6 (0.44) HTR6CNR1ALDH1A1MAPTFAAH
SCHEMBL2007339 0.78 HTR6 (0.48) HTR6HRH3FAAHSIGMAR1
SCHEMBL2005415 0.77 HTR2C (0.45) HTR6CNR1

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 2082/4885DPP4 748/4885HRH3 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.