SCHEMBL1021064

SCHEMBL1021064

CCC(CCN)Nc1nc(Cc2ccccc2F)ns1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
TAAR1 Q96RJ0 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 1/20 0.31
CASP3 P42574 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
CXCR2 P25025 2/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HTT P42858 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
SCHEMBL1021227 0.92 HTR6 (0.37) HTR6TAAR1ADORA2AADORA2BADORA1
SCHEMBL1023775 0.88 HTR6 (0.34) HTR6TAAR1HTR2CHTR2BALDH1A1
SCHEMBL1020631 0.87 HTR6 (0.35) HTR6TAAR1ADORA2AADORA2BADORA1
SCHEMBL1019632 0.86 HTR6 (0.37) HTR6TAAR1ADORA2AADORA2BADORA1
SCHEMBL1021346 0.85 TAAR1 (0.38) HTR6TAAR1ADORA2AADORA1TLR7
SCHEMBL1020244 0.82 ALDH1A1 (0.35) HTR6TAAR1HTR2CALDH1A1
SCHEMBL1021234 0.81 NPC1 (0.38) HTR6TAAR1TLR8TLR7NPC1
SCHEMBL1019884 0.79 HTR6 (0.38) HTR6TAAR1ADORA2AADORA2BADORA1
SCHEMBL1021961 0.79 MPO (0.34)
SCHEMBL1018499 0.79 HTR6 (0.36) HTR6TAAR1TLR8TLR7HTR2C

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 2082/4885TAAR1 2621/4885ADORA2A 2225/4885

“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.