SCHEMBL1023535

SCHEMBL1023535

NCCCCNc1nc(Cc2cccc(F)c2)ns1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
CCNT1 O60563 2/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
NPC1 O15118 1/20 0.38
HTR6 P50406 1/20 0.38
CDK9 P50750 1/20 0.36
SYK P43405 1/20 0.36
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
APP P05067 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 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
SCHEMBL1020704 0.99 TAAR1 (0.38) TAAR1CCNT1TLR8TLR7NPC1
SCHEMBL1021113 0.99 TAAR1 (0.38) TAAR1CCNT1TLR8TLR7NPC1
SCHEMBL1023888 0.96 CCNT1 (0.41) TAAR1CCNT1TLR8TLR7NPC1
SCHEMBL1021101 0.91 TAAR1 (0.42) TAAR1CCNT1TLR8TLR7NPC1
SCHEMBL1022348 0.86 TAAR1 (0.49) TAAR1TLR8TLR7NPC1HTR6
SCHEMBL1018342 0.86 ALDH1A1 (0.40) TAAR1TLR8TLR7HTR6HTR2C
SCHEMBL1021808 0.85 ALDH1A1 (0.35) TAAR1TLR8TLR7HTR6SYK
SCHEMBL1021459 0.85 MAOA (0.38)
SCHEMBL1020022 0.85 ALDH1A1 (0.39) TAAR1TLR8TLR7HTR6HTR2C
SCHEMBL1022387 0.85 ALDH1A1 (0.39) TAAR1TLR8TLR7HTR6HTR2C

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 TAAR1 2621/4885CCNT1 3585/4885TLR8 3950/4885

“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.