SCHEMBL2011056

SCHEMBL2011056

Cc1cc(Cc2nsc(N3CCN(CCN)CC3)n2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
MPO P05164 1/20 0.37
CNR1 P21554 1/20 0.36
SOS1 Q07889 1/20 0.34
HTR6 P50406 7/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PRKCZ Q05513 1/20 0.34
DPP4 P27487 1/20 0.33
DRD4 P21917 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32

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
SCHEMBL2007843 0.85 CNR1 (0.47) ALDH1A1CNR1HTR6PRKCZDPP4
SCHEMBL2006334 0.85 HTR6 (0.44) CNR1HTR6SLC6A4DRD4TMEM97
SCHEMBL2006176 0.83 HTR6 (0.49) ALDH1A1CNR1HTR6DPP4SIGMAR1
SCHEMBL2005298 0.83 HTR6 (0.48) ALDH1A1HTR6SLC6A4SLC6A3DRD4
SCHEMBL2008851 0.83 SOS1 (0.50) MPOCNR1SOS1HTR6
SCHEMBL2007020 0.82 HTR6 (0.44) ALDH1A1CNR1HTR6TMEM97SIGMAR1
SCHEMBL2002360 0.80 SIGMAR1 (0.48) ALDH1A1CNR1HTR6SIGMAR1
SCHEMBL2007339 0.80 HTR6 (0.48) HTR6SIGMAR1
SCHEMBL2007838 0.79 SOS1 (0.47) MPOCNR1SOS1
SCHEMBL2009386 0.78 HTR6 (0.47) ALDH1A1HTR6DPP4SIGMAR1

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 ALDH1A1 608/4885MPO 3448/4885CNR1 3094/4885

“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.