SCHEMBL1020904

SCHEMBL1020904

CCNCCN(CC)c1nc(Cc2ccccc2F)ns1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GFER P55789 1/20 0.37
TAAR1 Q96RJ0 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR6 P50406 1/20 0.33
LMNA P02545 3/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
AOC3 Q16853 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL1020705 0.87 CYP1A2 (0.33) HTR6HTR2CHTR2B
SCHEMBL1021141 0.84 CHRM2 (0.39) HTR6MAPK1
SCHEMBL1019432 0.83 PDE4A (0.34) HTT
SCHEMBL1020636 0.81 LMNA (0.36) TAAR1NPSR1HTR6LMNAALDH1A1
SCHEMBL1022774 0.80 L3MBTL1 (0.37) KMT2ATAAR1HTR6LMNAALDH1A1
SCHEMBL1020504 0.79 MPO (0.32)
SCHEMBL1020900 0.78 CNR2 (0.32) HTR6
SCHEMBL1022342 0.77 CNR2 (0.33) MEN1KMT2ATAAR1NPSR1HTR6
SCHEMBL1021579 0.76 HTR6 (0.34) MEN1KMT2AGFERNPSR1HTR6
SCHEMBL1019398 0.76 TAAR1 (0.43) TAAR1NPSR1HTR6LMNAALDH1A1

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 MEN1 4386/4885KMT2A 3893/4885GFER 3619/4885

“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.