SCHEMBL1022342

SCHEMBL1022342

CCNCCN(CC)c1nc(Cc2ccc(Cl)cc2)ns1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
USP2 O75604 1/20 0.31
CNR1 P21554 1/20 0.31
GAA P10253 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
SCHEMBL1020900 0.89 CNR2 (0.32) CNR2CNR1HTR6
SCHEMBL1020636 0.88 LMNA (0.36) ALDH1A1ADORA2ANPSR1LMNAL3MBTL1
SCHEMBL1019432 0.88 PDE4A (0.34) CNR2HTT
SCHEMBL1021912 0.86 NOS2 (0.41) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL1020504 0.83 MPO (0.32)
SCHEMBL1021579 0.81 HTR6 (0.34) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL18112382 0.80 ADORA2A (0.37) CNR2ADORA2ALMNATAAR1SMN1; SMN2
SCHEMBL1022774 0.80 L3MBTL1 (0.37) ALDH1A1KMT2ALMNAL3MBTL1TAAR1
SCHEMBL13098768 0.78 TAAR1 (0.39) ALDH1A1ADORA2ANPSR1LMNATAAR1
SCHEMBL1019787 0.78 CHRM2 (0.39) HTR6

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 CNR2 3443/4885ALDH1A1 608/4885ADORA3 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.