SCHEMBL1021452

SCHEMBL1021452

CCC(CN)Nc1nc(Cc2ccc(C)cc2)ns1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
HTR6 P50406 1/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
AR P10275 1/20 0.32
KMT2A Q03164 1/20 0.32
SYK P43405 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
BCDIN3D Q7Z5W3 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL1022058 0.90 CNR1 (0.32) CNR1HTR6LTA4HALDH1A1LMNA
SCHEMBL1020608 0.90 TAS1R3 (0.34) CNR1HTR6LTA4HALDH1A1LMNA
SCHEMBL1021489 0.89 ALDH1A1 (0.36) HTR6ALDH1A1MAPTNPC1
SCHEMBL1020733 0.89 NPC1 (0.38) HTR6ALDH1A1LMNAMEN1KMT2A
SCHEMBL1019637 0.86 ALDH1A1 (0.40) HTR6LTA4HALDH1A1LMNAMEN1
SCHEMBL1021253 0.86 MAPT (0.40) HTR6LTA4HALDH1A1LMNAMAPT
SCHEMBL1019774 0.83 MPO (0.35) BCDIN3D
SCHEMBL1018499 0.80 HTR6 (0.36) HTR6LTA4HALDH1A1
SCHEMBL1021871 0.80 NPC1 (0.39) HTR6LMNAMEN1KMT2ANPC1
SCHEMBL1020112 0.80 CNR1 (0.35) CNR1HTR6LTA4HALDH1A1LMNA

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 CNR1 3094/4885HTR6 2082/4885LTA4H 1500/4885

“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.