SCHEMBL1021871

SCHEMBL1021871

CCC(CN)Nc1nc(Cc2cccc(F)c2)ns1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
HTR6 P50406 1/20 0.39
TAAR1 Q96RJ0 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
AKT3 Q9Y243 2/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33
NLRP3 Q96P20 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CHRM4 P08173 1/20 0.33
CIT O14578 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 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
SCHEMBL1021234 0.91 NPC1 (0.38) NPC1HTR6TAAR1L3MBTL1TLR8
SCHEMBL1021402 0.91 NPC1 (0.38) NPC1HTR6TAAR1L3MBTL1AKT1
SCHEMBL1019637 0.88 ALDH1A1 (0.40) NPC1HTR6TAAR1TLR8TLR7
SCHEMBL1021489 0.86 ALDH1A1 (0.36) NPC1HTR6HTR2C
SCHEMBL1019518 0.84 NPC1 (0.42) NPC1HTR6TAAR1TLR8TLR7
SCHEMBL1019774 0.83 MPO (0.35) MPO
SCHEMBL1023660 0.82 NPC1 (0.39) NPC1HTR6TAAR1L3MBTL1TLR8
SCHEMBL1021101 0.80 TAAR1 (0.42) NPC1HTR6TAAR1L3MBTL1TLR8
SCHEMBL1021452 0.80 CNR1 (0.33) NPC1HTR6MEN1KMT2ARAB9A
SCHEMBL1021873 0.80 AKT1 (0.43) NPC1HTR6TAAR1L3MBTL1AKT1

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 2082/4885TAAR1 2621/4885

“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.