SCHEMBL1021293

SCHEMBL1021293

CCCC(N)CNc1nc(Cc2ccc(Cl)cc2)ns1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.37
AKT1 P31749 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTR6 P50406 1/20 0.33
SLC6A4 P31645 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MAPT P10636 5/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NTRK1 P04629 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1020734 0.90 CDK2 (0.39) CDK2AKT1NPC1RAB9AHTR6
SCHEMBL1020609 0.89 PRKCI (0.33) NPC1RAB9AHTR6MEN1KMT2A
SCHEMBL1019378 0.88 CDK2 (0.37) CDK2AKT1HTR6KDM4EALDH1A1
SCHEMBL1021153 0.86 LMNA (0.39) NPC1RAB9AHTR6SLC6A4L3MBTL1
SCHEMBL1020893 0.85 SLC6A2 (0.41) CDK2AKT1NPC1RAB9AHTR6
SCHEMBL1021370 0.84 CDK2 (0.35) CDK2AKT1
SCHEMBL1020763 0.83 HRH3 (0.39) CDK2AKT1NPC1RAB9AHTR6
SCHEMBL1021138 0.81 SLC6A2 (0.39) NPC1RAB9AHTR6L3MBTL1MAPK1
SCHEMBL1020849 0.81 ALDH1A1 (0.38) CDK2AKT1HTR6ALDH1A1LMNA
SCHEMBL1021403 0.80 AKT1 (0.40) AKT1NPC1HTR6L3MBTL1MEN1

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 CDK2 1028/4885AKT1 2606/4885NPC1 777/4885

“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.