SCHEMBL1019377

SCHEMBL1019377

CCCC(CN)Nc1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR6 P50406 2/20 0.33
KCNH2 Q12809 2/20 0.33
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
ADRA1D P25100 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 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
SCHEMBL1021489 0.90 ALDH1A1 (0.36) ALDH1A1KDM4EHTR6ADRA1DHTR2C
SCHEMBL1020608 0.89 TAS1R3 (0.34) ALDH1A1HTR6KCNH2TLR8TLR7
SCHEMBL1021292 0.88 NPC1 (0.37) ALDH1A1KDM4EHTR6TLR8TLR7
SCHEMBL1021402 0.86 NPC1 (0.38) HTR6KCNH2TLR8TLR7HTR2C
SCHEMBL1021152 0.86 TAS1R3 (0.39) ALDH1A1HTR6TLR8TLR7
SCHEMBL1020244 0.86 ALDH1A1 (0.35) ALDH1A1KDM4EHTR6ADRA1DHTR2C
SCHEMBL1021369 0.85 MPO (0.34) TLR7
SCHEMBL1020848 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EHTR6KCNH2TLR8
SCHEMBL1020631 0.81 HTR6 (0.35) ALDH1A1HTR6KCNH2TLR8TLR7
SCHEMBL1021019 0.81 KDM4E (0.36) ALDH1A1KDM4EHTR6ADRA1DHTR2C

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 608/4885KDM4E 4180/4885HTR6 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.