SCHEMBL1019774

SCHEMBL1019774

CCC(CN)Nc1nc(Cc2ccc(F)c(C)c2)ns1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.35
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
BCDIN3D Q7Z5W3 1/20 0.32
MMP13 P45452 1/20 0.31
MME P08473 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
SCHEMBL1021961 0.92 MPO (0.34) MPOSLC6A2SLC6A4SLC6A3MMP13
SCHEMBL1021369 0.91 MPO (0.34) MPOSLC6A2SLC6A4SLC6A3
SCHEMBL1021489 0.85 ALDH1A1 (0.36)
SCHEMBL1021452 0.83 CNR1 (0.33) BCDIN3D
SCHEMBL1020408 0.83 MPO (0.35) MPOSLC6A2SLC6A4SLC6A3MMP13
SCHEMBL1021871 0.83 NPC1 (0.39) MPO
SCHEMBL1019637 0.83 ALDH1A1 (0.40) MPO
SCHEMBL1020733 0.82 NPC1 (0.38) BCDIN3D
SCHEMBL1021540 0.82 MPO (0.38) MPOSLC6A2SLC6A4SLC6A3BCDIN3D
SCHEMBL1019775 0.80 AKT1 (0.38) MPOBCDIN3DMMP13

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 MPO 3448/4885SLC6A2 3588/4885SLC6A4 3714/4885

“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.