SCHEMBL1019391

SCHEMBL1019391

Cc1cc(Cc2nsc(NCCCCCN)n2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MPO P05164 1/20 0.35
STK17A Q9UEE5 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
F13A1 P00488 1/20 0.32
ACHE P22303 3/20 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
SCHEMBL1020827 1.00 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC8MPO
SCHEMBL1021175 0.99 MPO (0.36) HDAC3HDAC1HDAC2HDAC8MPO
SCHEMBL1020783 0.95 MPO (0.37) HDAC3HDAC1HDAC2HDAC8MPO
SCHEMBL1021540 0.91 MPO (0.38) HDAC3HDAC1HDAC2HDAC8MPO
SCHEMBL1022472 0.88 MPO (0.36) HDAC3HDAC1HDAC2HDAC8MPO
SCHEMBL1020743 0.84 DYRK1B (0.36) STK17AF13A1ACHE
SCHEMBL1020759 0.84 SYK (0.37) F13A1ACHE
SCHEMBL1022485 0.84 SYK (0.37) F13A1ACHE
SCHEMBL1019082 0.84 DYRK1B (0.36) STK17AF13A1ACHE
SCHEMBL1020409 0.83 MPO (0.35) MPO

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 HDAC3 803/4885HDAC1 1563/4885HDAC2 1456/4885

“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.