SCHEMBL1020848

SCHEMBL1020848

CCCC(CN)Nc1nc(Cc2cccc(C)c2)ns1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTR6 P50406 1/20 0.37
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
LTA4H P09960 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
AR P10275 1/20 0.32
KCNH2 Q12809 2/20 0.32
MPO P05164 1/20 0.32
IDO1 P14902 2/20 0.31
CRHR1 P34998 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1019637 0.91 ALDH1A1 (0.40) ALDH1A1LMNAHTR6TLR8TLR7
SCHEMBL1021402 0.89 NPC1 (0.38) HTR6TLR8TLR7TAAR1HTR2C
SCHEMBL1020608 0.87 TAS1R3 (0.34) ALDH1A1LMNAHTR6TLR8TLR7
SCHEMBL1021148 0.87 NPC1 (0.41) ALDH1A1HTR6TLR8TLR7TAS1R3
SCHEMBL1020770 0.86 ALDH1A1 (0.38) ALDH1A1LMNAHTR6TLR8TLR7
SCHEMBL1021369 0.84 MPO (0.34) TLR7MPO
SCHEMBL1021316 0.83 ALDH1A1 (0.39) ALDH1A1LMNAHTR6TLR8TLR7
SCHEMBL1019377 0.81 ALDH1A1 (0.35) ALDH1A1HTR6TLR8TLR7HTR2C
SCHEMBL1021292 0.81 NPC1 (0.37) ALDH1A1HTR6TLR8TLR7KDM4E
SCHEMBL1020849 0.81 ALDH1A1 (0.38) ALDH1A1LMNAHTR6TLR8TLR7

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 ALDH1A1 608/4885LMNA 1913/4885HTR6 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.