SCHEMBL1023581

SCHEMBL1023581

CC(N)CNc1nc(Cc2ccccc2)ns1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 2/20 0.37
XIAP P98170 4/20 0.37
LMNA P02545 1/20 0.36
PRKCI P41743 2/20 0.34
HTR6 P50406 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 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
SCHEMBL1021104 0.88 GBA1 (0.38) ALDH1A1LMNAPRKCIHTR6
SCHEMBL1019826 0.86 ALDH1A1 (0.37) MAOAALDH1A1PRKCIHTR6
SCHEMBL1020893 0.86 SLC6A2 (0.41) SLC6A2SLC6A3ALDH1A1HTR6
SCHEMBL1020653 0.86 ALDH1A1 (0.40) TAAR1ALDH1A1LMNAPRKCIHTR6
SCHEMBL1019033 0.85 NPC1 (0.40) TAAR1HTR6HRH4
SCHEMBL1018460 0.84 SLC6A4 (0.43) SLC6A4ALDH1A1LMNAHTR6
SCHEMBL1021097 0.83 TAAR1 (0.49) TAAR1ADORA2AADORA1ALDH1A1HTR6
SCHEMBL1018027 0.83 HTR6 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1PRKCI
SCHEMBL1018395 0.82 HTR6 (0.38) SLC6A2TAAR1SLC6A4SLC6A3ADORA2A
SCHEMBL1019113 0.80 HTR6 (0.40) SLC6A2SLC6A4SLC6A3ADORA2AADORA1

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 SLC6A2 3588/4885TAAR1 2621/4885MAOA 2659/4885

“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.