SCHEMBL1020728

SCHEMBL1020728

CN(CCN)c1nc(Cc2ccc(F)cc2)ns1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.36
HTR6 P50406 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
ALDH1A1 P00352 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MAPK1 P28482 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
MAOB P27338 1/20 0.31
NOS2 P35228 2/20 0.31
ADORA2A P29274 1/20 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
SCHEMBL1021875 0.88 HTR6 (0.35) HTR6TAAR1MAPK1MAPTMAOB
SCHEMBL1021400 0.86 AOC3 (0.36) AOC3HTR6TAAR1ALDH1A1MAPK1
SCHEMBL1022394 0.86 CARM1 (0.41) AOC3HTR6TAAR1ALDH1A1TDP1
SCHEMBL1018376 0.85 TAAR1 (0.41) AOC3HTR6TAAR1TDP1MAPK1
SCHEMBL1019214 0.85 HTR6 (0.41) HTR6TAAR1ALDH1A1NOS2HTR2C
SCHEMBL1019453 0.85 MPO (0.37) NOS2
SCHEMBL1020111 0.84 NOS2 (0.44) AOC3HTR6TAAR1ALDH1A1MAPK1
SCHEMBL1019764 0.80 AOC3 (0.40) AOC3HTR6TAAR1ALDH1A1NPSR1
SCHEMBL1020890 0.78 TAAR1 (0.41) HTR6TAAR1ALDH1A1TDP1CYP2D6
SCHEMBL1019394 0.75 TAAR1 (0.45) AOC3HTR6TAAR1ALDH1A1LMNA

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 AOC3 810/4885HTR6 2082/4885TAAR1 2621/4885

“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.