SCHEMBL1021579

SCHEMBL1021579

CCNCCN(CC)c1nc(Cc2cccc(C)c2)ns1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
LTA4H P09960 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GFER P55789 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL1022774 0.88 L3MBTL1 (0.37) HTR6HTR2CHTR2BTLR8TLR7
SCHEMBL1019432 0.87 PDE4A (0.34)
SCHEMBL1020900 0.86 CNR2 (0.32) HTR6
SCHEMBL1019787 0.86 CHRM2 (0.39) HTR6HTR2CLTA4HTLR8TLR7
SCHEMBL1020504 0.83 MPO (0.32)
SCHEMBL1022342 0.81 CNR2 (0.33) HTR6ALDH1A1LMNAKDM4EMEN1
SCHEMBL1020636 0.81 LMNA (0.36) HTR6HTR2CALDH1A1LMNANPSR1
SCHEMBL1021912 0.79 NOS2 (0.41) HTR6LTA4HALDH1A1LMNAKDM4E
SCHEMBL13098771 0.77 CHRM2 (0.46) HTR6LTA4HTLR8TLR7
SCHEMBL1022538 0.77 NOS1 (0.42) HTR6HTR2CHTR2BLTA4HCYP11B1

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 HTR6 2082/4885HTR2C 1846/4885HTR2B 2061/4885

“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.