SCHEMBL2005103

SCHEMBL2005103

COc1ccccc1Cc1nsc(N2CCNC(C)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
BRPF1 P55201 2/20 0.38
BRD4 O60885 1/20 0.38
GNAI3 P08754 1/20 0.37
GHSR Q92847 4/20 0.36
PDE10A Q9Y233 2/20 0.36
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
ADRB1 P08588 1/20 0.35
DRD2 P14416 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
GSK3B P49841 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL2008870 0.85 HTR6 (0.39) HTR6MAPTHTR2C
SCHEMBL2006517 0.85 HTR6 (0.48) HTR6GNAI3MAPTSIGMAR1HTR3E
SCHEMBL2007117 0.84 HTR6 (0.40) HTR6GSK3BHTR2C
SCHEMBL2004244 0.83 HTR6 (0.39) HTR6SIGMAR1HRH3HTR2C
SCHEMBL2006897 0.82 KHK (0.41) HTR6SIGMAR1HRH3HTR2C
SCHEMBL2003762 0.81 HTR7 (0.45) HTR6GNAI3MAPTSIGMAR1HTR3E
SCHEMBL3067141 0.80 MAPT (0.44) MAPTSIGMAR1CYP2C19
SCHEMBL2005763 0.80 HTR6 (0.40) HTR6SIGMAR1HTR3EHTR3BADRB1
SCHEMBL2005739 0.79 HTR6 (0.44) HTR6PDE10AMAPTSIGMAR1ADRB1
SCHEMBL2003871 0.77 CSNK1E (0.39) HTR6HRH3HTR2C

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 2082/4885BRPF1 1549/4885BRD4 224/4885

“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.