SCHEMBL1024071

SCHEMBL1024071

CCC(N)CNc1nc(Cc2ccccc2OC)ns1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.39
LTA4H P09960 1/20 0.37
PRKCI P41743 3/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TLR7 Q9NYK1 2/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
TLR8 Q9NR97 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL1021456 0.91 HTR6 (0.38) HTR6LTA4HPRKCITSHRMAPK1
SCHEMBL1021347 0.89 HTR6 (0.40) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1019113 0.88 HTR6 (0.40) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1018500 0.85 HTR6 (0.36) HTR6LTA4HPRKCIALDH1A1TLR7
SCHEMBL1021228 0.84 CDK2 (0.42) HTR6PRKCIMEN1KMT2AADORA2A
SCHEMBL1019974 0.82 HTR6 (0.39) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1021201 0.81 TAAR1 (0.43) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1020411 0.80 HTR6 (0.40) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1024070 0.80 HTR6 (0.39) HTR6LTA4HTSHRMAPK1TDP1
SCHEMBL1021254 0.79 LMNA (0.40) HTR6LTA4HPRKCIMAPK1ALDH1A1

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 HTR6 2082/4885LTA4H 1500/4885PRKCI 2188/4885

“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.