SCHEMBL1019639

SCHEMBL1019639

CCC(N)CNc1nc(Cc2cccc(C)c2)ns1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SYK P43405 1/20 0.39
HTR6 P50406 1/20 0.38
LTA4H P09960 1/20 0.36
PRKCI P41743 1/20 0.35
APP P05067 1/20 0.35
AKT1 P31749 5/20 0.35
CDK2 P24941 3/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
AR P10275 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
SCHEMBL1020849 0.91 ALDH1A1 (0.38) ALDH1A1LMNASYKHTR6LTA4H
SCHEMBL1020771 0.89 HTR6 (0.39) ALDH1A1LMNASYKHTR6LTA4H
SCHEMBL1020653 0.88 ALDH1A1 (0.40) ALDH1A1LMNAHTR6LTA4HPRKCI
SCHEMBL1021873 0.87 AKT1 (0.43) ALDH1A1HTR6APPAKT1CDK2
SCHEMBL1021453 0.85 NPC1 (0.33) ALDH1A1LMNASYKHTR6LTA4H
SCHEMBL1019519 0.85 NPC1 (0.42) HTR6LTA4HPRKCIAPPTLR8
SCHEMBL1019775 0.82 AKT1 (0.38) PRKCIAKT1CDK2
SCHEMBL1021317 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHTR6LTA4HAPP
SCHEMBL1021673 0.81 TAAR1 (0.42) ALDH1A1LMNASYKHTR6LTA4H
SCHEMBL1019637 0.80 ALDH1A1 (0.40) ALDH1A1LMNASYKHTR6LTA4H

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 ALDH1A1 608/4885LMNA 1913/4885SYK 4764/4885

“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.