SCHEMBL1019033

SCHEMBL1019033

CC(N)CNc1nc(Cc2cccc(F)c2)ns1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
HTR6 P50406 1/20 0.40
AKT1 P31749 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
APP P05067 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
CHRM4 P08173 1/20 0.34
MPO P05164 1/20 0.33

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
SCHEMBL1021873 0.88 AKT1 (0.43) NPC1HTR6AKT1TLR8TLR7
SCHEMBL1023662 0.88 NPC1 (0.39) NPC1HTR6AKT1TLR8TLR7
SCHEMBL1020653 0.87 ALDH1A1 (0.40) NPC1HTR6TLR8TLR7TAAR1
SCHEMBL1021403 0.86 AKT1 (0.40) NPC1HTR6AKT1TLR8TLR7
SCHEMBL1019826 0.85 ALDH1A1 (0.37) HTR6AKT1TLR8TLR7HTR2C
SCHEMBL1023581 0.85 SLC6A2 (0.38) HTR6TAAR1HRH4
SCHEMBL1021097 0.84 TAAR1 (0.49) NPC1HTR6TLR8TLR7TAAR1
SCHEMBL1020396 0.82 MPO (0.36) AKT1MPO
SCHEMBL1021236 0.82 HTR6 (0.40) NPC1HTR6AKT1TLR8TLR7
SCHEMBL1021101 0.81 TAAR1 (0.42) NPC1HTR6TLR8TLR7TAAR1

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 NPC1 777/4885HTR6 2082/4885AKT1 2606/4885

“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.