SCHEMBL1022396

SCHEMBL1022396

Cc1ccc(Cc2nsc(CC(N)C(C)N)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
CNR1 P21554 1/20 0.35
LTA4H P09960 1/20 0.35
AGXT P21549 2/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ALOX5 P09917 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL1020748 0.88 HTR6 (0.36) HTR6CNR1AGXTMAPTMAPK1
SCHEMBL1020820 0.88 SLC6A2 (0.41) HTR6MAPTMAPK1L3MBTL1HTR2B
SCHEMBL1021524 0.84 HTR6 (0.40) HTR6LTA4HHTR2CHTR2B
SCHEMBL1020508 0.82 MPO (0.37)
SCHEMBL1020854 0.78 HTR6 (0.38) HTR6LTA4HHTR2CHTR2B
SCHEMBL1021009 0.78 HTR6 (0.41) HTR6AGXTL3MBTL1HTR2CHTR2B
SCHEMBL1020816 0.76 TAAR1 (0.50) HTR6LTA4HAGXT
SCHEMBL1020626 0.75 HTR6 (0.39) HTR6L3MBTL1HTR2CHTR2BHTT
SCHEMBL13087915 0.72 LTA4H (0.40) HTR6CNR1LTA4HMAPTMAPK1
SCHEMBL1021104 0.71 GBA1 (0.38) HTR6CNR1LTA4HMAPTHTT

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 5 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
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 WO 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 2082/4885CNR1 3094/4885LTA4H 1500/4885

“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.