SCHEMBL2004244

SCHEMBL2004244

COc1ccccc1Cc1nsc(N2CC(C)NCC2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
HRH3 Q9Y5N1 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PIM1 P11309 1/20 0.33
CCR2 P41597 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SIGMAR1 Q99720 3/20 0.32
LTA4H P09960 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR2C P28335 1/20 0.32
AR P10275 1/20 0.32
LMNA P02545 2/20 0.32
PRKCI P41743 1/20 0.32
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL2008512 0.86 HTR2C (0.36) HTR6PIM1SIGMAR1HTR2CPRKCI
SCHEMBL2012276 0.85 HTR6 (0.36) HTR6PIM1SIGMAR1HTR2CPRKCI
SCHEMBL2005103 0.83 HTR6 (0.42) HTR6HRH3SIGMAR1HTR2C
SCHEMBL2006358 0.82 SIGMAR1 (0.43) HTR6PIM1L3MBTL1SIGMAR1TDP1
SCHEMBL2012429 0.81 HTR6 (0.36) HTR6PIM1L3MBTL1MAPK1PRKCI
SCHEMBL2011864 0.80 HTR1B (0.42) HTR6HRH3ADORA1CCR2ALDH1A1
SCHEMBL2006211 0.78 SIGMAR1 (0.38) HTR6PIM1SIGMAR1HTR2CPRKCI
SCHEMBL2006785 0.76 PRKCI (0.35) HTR6PIM1SIGMAR1HTR2CPRKCI
SCHEMBL2004679 0.76 HTR6 (0.38) HTR6HRH3PIM1CCR2ALDH1A1
SCHEMBL2008339 0.75 HTR6 (0.39) HTR6L3MBTL1SIGMAR1HTR2CLMNA

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 2082/4885HRH3 2765/4885ADORA3 1055/4885

“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.