SCHEMBL1020168

SCHEMBL1020168

CNCCNc1nc(Cc2ccccc2C)ns1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LTA4H P09960 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ELANE P08246 1/20 0.33
CHRM2 P08172 1/20 0.33
IKBKB O14920 3/20 0.32
CHUK O15111 2/20 0.32
LMNA P02545 1/20 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
SCHEMBL1021103 0.88 TLR8 (0.38) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1023487 0.88 TAAR1 (0.39) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1020808 0.87 TLR8 (0.37) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1021184 0.86 CHRM2 (0.38) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1019285 0.86 CHRM2 (0.38) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1021044 0.85 TAAR1 (0.46) HTR6CYP3A4CYP2D6ALDH1A1HTR2C
SCHEMBL1021863 0.83 HTR6 (0.36) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1020411 0.83 HTR6 (0.40) HTR6CYP3A4CYP2D6ALDH1A1LTA4H
SCHEMBL1023776 0.81 HRH3 (0.38) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1022844 0.81 ATM (0.41) CYP3A4ALDH1A1MAPTLMNA

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 HTR6 2082/4885CYP1A2 3341/4885CYP3A4 3369/4885

“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.