SCHEMBL1021403

SCHEMBL1021403

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.40
NPC1 O15118 1/20 0.38
HTR6 P50406 1/20 0.38
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CHRM4 P08173 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GPR52 Q9Y2T5 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32
NLRP3 Q96P20 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
APP P05067 2/20 0.32

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 0.91 AKT1 (0.43) AKT1NPC1HTR6TLR8TLR7
SCHEMBL1020849 0.88 ALDH1A1 (0.38) AKT1HTR6TLR8TLR7S1PR4
SCHEMBL1019378 0.86 CDK2 (0.37) AKT1HTR6TLR8TLR7HTR2C
SCHEMBL1019033 0.86 NPC1 (0.40) AKT1NPC1HTR6TLR8TLR7
SCHEMBL1021149 0.85 NPC1 (0.41) NPC1HTR6TLR8TLR7TAAR1
SCHEMBL1021370 0.85 CDK2 (0.35) AKT1MPO
SCHEMBL1021236 0.85 HTR6 (0.40) AKT1NPC1HTR6TLR8TLR7
SCHEMBL1023662 0.82 NPC1 (0.39) AKT1NPC1HTR6TLR8TLR7
SCHEMBL1020609 0.81 PRKCI (0.33) NPC1HTR6TLR8TLR7MEN1
SCHEMBL1021402 0.80 NPC1 (0.38) AKT1NPC1HTR6TLR8TLR7

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 AKT1 2606/4885NPC1 777/4885HTR6 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.