SCHEMBL1019689

SCHEMBL1019689

NCCCCCNc1nc(Cc2ccccc2)ns1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
MAOA P21397 1/20 0.37
F13A1 P00488 1/20 0.36
NPY1R P25929 1/20 0.36
NPY5R Q15761 1/20 0.36
CDK7 P50613 1/20 0.35

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
SCHEMBL1020762 1.00 ACHE (0.38) ACHEMAOAF13A1NPY1RNPY5R
SCHEMBL1021459 0.99 MAOA (0.38) ACHEMAOANPY1RNPY5R
SCHEMBL1020924 0.94 GLS (0.36) MAOA
SCHEMBL1018388 0.89 ALDH1A1 (0.37)
SCHEMBL1020741 0.87 STK17A (0.39)
SCHEMBL1021252 0.87 STK17A (0.39)
SCHEMBL1020759 0.87 SYK (0.37) ACHEF13A1
SCHEMBL1020743 0.87 DYRK1B (0.36) ACHEF13A1
SCHEMBL1019082 0.87 DYRK1B (0.36) ACHEF13A1
SCHEMBL1022485 0.87 SYK (0.37) ACHEF13A1

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 ACHE 524/4885MAOA 2659/4885F13A1 4127/4885

“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.