SCHEMBL1020739

SCHEMBL1020739

CNCCN(C)c1nc(Cc2ccccc2OC)ns1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.38
AOC3 Q16853 1/20 0.38
HTR6 P50406 1/20 0.38
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CD O00329 1/20 0.35
NOS2 P35228 1/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 2/20 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
SCHEMBL1021223 0.87 TAAR1 (0.42) CHRM2AOC3HTR6LTA4HALDH1A1
SCHEMBL1019350 0.84 PIK3CD (0.36) HTR6LTA4HPIK3CDNOS2
SCHEMBL1019398 0.83 TAAR1 (0.43) AOC3HTR6ALDH1A1L3MBTL1HTT
SCHEMBL1020996 0.83 GAA (0.44) ALDH1A1L3MBTL1KDM4EPOLBTSHR
SCHEMBL1022413 0.80 ATM (0.38) ALDH1A1L3MBTL1KDM4ENOS2
SCHEMBL1020159 0.78 NOS2 (0.48) AOC3HTR6LTA4HALDH1A1L3MBTL1
SCHEMBL1021077 0.77 L3MBTL1 (0.35) CHRM2HTR6LTA4HALDH1A1L3MBTL1
SCHEMBL1021141 0.77 CHRM2 (0.39) CHRM2HTR6TSHRMAPK1TDP1
SCHEMBL1021067 0.77 TAS2R14 (0.40) ALDH1A1L3MBTL1KDM4EHTTTSHR
SCHEMBL1020554 0.77 CHRM2 (0.48) CHRM2AOC3HTR6LTA4HALDH1A1

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 3 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
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US 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 CHRM2 3891/4885AOC3 810/4885HTR6 2082/4885

“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.