SCHEMBL1019764

SCHEMBL1019764

CN(CCN)c1nc(Cc2ccccc2F)ns1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.40
HTR6 P50406 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1019398 0.87 TAAR1 (0.43) AOC3HTR6TAAR1ALDH1A1LMNA
SCHEMBL1022394 0.82 CARM1 (0.41) AOC3HTR6TAAR1ALDH1A1NPC1
SCHEMBL1020728 0.80 AOC3 (0.36) AOC3HTR6TAAR1ALDH1A1LMNA
SCHEMBL1019214 0.79 HTR6 (0.41) HTR6TAAR1ALDH1A1L3MBTL1HTR2C
SCHEMBL1021108 0.77 NPC1 (0.43) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL1019453 0.76 MPO (0.37) MPO
SCHEMBL1022239 0.76 ALDH1A1 (0.44) ALDH1A1LMNAHTT
SCHEMBL1021875 0.76 HTR6 (0.35) HTR6TAAR1HTTL3MBTL1HTR2C
SCHEMBL1023625 0.75 HTR7 (0.44) ALDH1A1LMNA
SCHEMBL1021400 0.75 AOC3 (0.36) AOC3HTR6TAAR1ALDH1A1NPC1

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.