SCHEMBL1020893

SCHEMBL1020893

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTR6 P50406 1/20 0.36
HSP90AB1 P08238 1/20 0.35
CDK2 P24941 2/20 0.35
AKT1 P31749 2/20 0.35
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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) NPC1RAB9AMEN1KMT2AHTR6
SCHEMBL1020734 0.87 CDK2 (0.39) SLC6A2SLC6A3NPC1RAB9AMEN1
SCHEMBL1021138 0.87 SLC6A2 (0.39) SLC6A2SLC6A3NPC1RAB9AMEN1
SCHEMBL1019826 0.87 ALDH1A1 (0.37) HTR6CDK2AKT1KDM4EALDH1A1
SCHEMBL1023581 0.86 SLC6A2 (0.38) SLC6A2SLC6A3HTR6ALDH1A1
SCHEMBL1021293 0.85 CDK2 (0.37) SLC6A2SLC6A3NPC1RAB9AMEN1
SCHEMBL1018460 0.85 SLC6A4 (0.43) NPC1RAB9AL3MBTL1HTR6MAPT
SCHEMBL1020396 0.82 MPO (0.36) SLC6A2SLC6A3CDK2AKT1TSHR
SCHEMBL13718153 0.81 P2RX3 (0.37) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL13718066 0.80 NPC1 (0.42) NPC1RAB9AKMT2AKDM4EALDH1A1

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 3588/4885SLC6A3 476/4885NPC1 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.