SCHEMBL1022774

SCHEMBL1022774

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
TAAR1 Q96RJ0 2/20 0.36
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 2/20 0.31
NPC1 O15118 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
SCHEMBL1021579 0.88 HTR6 (0.34) HTR6ALDH1A1LMNATLR8TLR7
SCHEMBL1020636 0.86 LMNA (0.36) L3MBTL1TAAR1HTR6ALDH1A1LMNA
SCHEMBL1019432 0.86 PDE4A (0.34)
SCHEMBL1019787 0.85 CHRM2 (0.39) HTR6TLR8TLR7HTR2CNPC1
SCHEMBL1020504 0.84 MPO (0.32)
SCHEMBL1020900 0.81 CNR2 (0.32) HTR6NOS1NOS2
SCHEMBL1020904 0.80 MEN1 (0.37) TAAR1HTR6ALDH1A1LMNATLR8
SCHEMBL1022342 0.80 CNR2 (0.33) L3MBTL1TAAR1HTR6ALDH1A1LMNA
SCHEMBL1021912 0.78 NOS2 (0.41) L3MBTL1HTR6ALDH1A1LMNANOS2
SCHEMBL1021224 0.77 TAAR1 (0.46) L3MBTL1TAAR1HTR6ALDH1A1HTR2C

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 L3MBTL1 1449/4885TAAR1 2621/4885HTR6 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.