SCHEMBL1022058

SCHEMBL1022058

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
HTR6 P50406 1/20 0.32
LTA4H P09960 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
AR P10275 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL1021452 0.90 CNR1 (0.33) CNR1HTR6LTA4HMEN1ALDH1A1
SCHEMBL1020244 0.89 ALDH1A1 (0.35) HTR6ALDH1A1TAAR1
SCHEMBL1020761 0.89 NPC1 (0.37) HTR6MEN1ALDH1A1LMNAKMT2A
SCHEMBL1021362 0.87 MAPT (0.39) HTR6LTA4HALDH1A1LMNATAAR1
SCHEMBL1020770 0.87 ALDH1A1 (0.38) HTR6LTA4HMEN1ALDH1A1LMNA
SCHEMBL1020608 0.85 TAS1R3 (0.34) CNR1HTR6LTA4HMEN1ALDH1A1
SCHEMBL1021961 0.85 MPO (0.34)
SCHEMBL1020112 0.85 CNR1 (0.35) CNR1HTR6LTA4HMEN1ALDH1A1
SCHEMBL1023775 0.81 HTR6 (0.34) HTR6LTA4HALDH1A1CYP1A2TAAR1
SCHEMBL1021234 0.81 NPC1 (0.38) HTR6MEN1ALDH1A1LMNAKMT2A

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.